PubChemLite - Strictamine (C20H22N2O2)

Structural Information

Molecular Formula

SMILES

C/C=C\1/CN2CC[C@]34C([C@H]1C[C@H]2C3=NC5=CC=CC=C45)C(=O)OC

InChI

InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)16(22)10-13(12)17(20)19(23)24-2/h3-7,13,16-17H,8-11H2,1-2H3/b12-3-/t13-,16-,17?,20-/m0/s1

InChIKey

LITYYRLWHAQJQS-ZYJJEPLOSA-N

Compound name

methyl (1R,10S,12R,13E)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

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]+	323.17540	179.5
[M+Na]+	345.15734	191.3
[M+NH4]+	340.20194	190.2
[M+K]+	361.13128	183.0
[M-H]-	321.16084	180.7
[M+Na-2H]-	343.14279	180.3
[M]+	322.16757	181.6
[M]-	322.16867	181.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.17540

179.5

[M+Na]+

345.15734

191.3

[M+NH4]+

340.20194

190.2

[M+K]+

361.13128

183.0

[M-H]-

321.16084

180.7

[M+Na-2H]-

343.14279

180.3

[M]+

322.16757

181.6

[M]-

322.16867

181.6

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

Strictamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe