PubChemLite - (16s,20s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene (C27H43N)

Structural Information

Molecular Formula

SMILES

C[C@H]1CCC2[C@H](C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCCC6)C)C)C

InChI

InChI=1S/C27H43N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h9,17-18,20-25H,5-8,10-16H2,1-4H3/t17-,18+,20?,21?,22?,23?,24?,25?,26?,27?/m0/s1

InChIKey

HKIXEELOHWFWNE-MRUWGKKBSA-N

Compound name

(16S,20S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.34682	203.1
[M+Na]+	404.32876	206.3
[M-H]-	380.33226	206.2
[M+NH4]+	399.37336	225.4
[M+K]+	420.30270	197.1
[M+H-H2O]+	364.33680	193.1
[M+HCOO]-	426.33774	205.0
[M+CH3COO]-	440.35339	208.7
[M+Na-2H]-	402.31421	195.6
[M]+	381.33899	192.0
[M]-	381.34009	192.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.34682

203.1

[M+Na]+

404.32876

206.3

[M-H]-

380.33226

206.2

[M+NH4]+

399.37336

225.4

[M+K]+

420.30270

197.1

[M+H-H2O]+

364.33680

193.1

[M+HCOO]-

426.33774

205.0

[M+CH3COO]-

440.35339

208.7

[M+Na-2H]-

402.31421

195.6

[M]+

381.33899

192.0

[M]-

381.34009

192.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(16s,20s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe