PubChemLite - Peregrine (C26H41NO6)

Structural Information

Molecular Formula

SMILES

CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)OC)OC(=O)C)OC)C

InChI

InChI=1S/C26H41NO6/c1-7-27-12-24(3)9-8-17(31-5)26-15-10-14-16(30-4)11-25(32-6,18(15)20(14)29)19(23(26)27)21(22(24)26)33-13(2)28/h14-23,29H,7-12H2,1-6H3

InChIKey

FWZLYKYJQSQEPN-UHFFFAOYSA-N

Compound name

(11-ethyl-4-hydroxy-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl) acetate

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]+	464.30068	209.3
[M+Na]+	486.28262	212.8
[M-H]-	462.28612	208.6
[M+NH4]+	481.32722	230.2
[M+K]+	502.25656	208.3
[M+H-H2O]+	446.29066	202.6
[M+HCOO]-	508.29160	208.9
[M+CH3COO]-	522.30725	241.0
[M+Na-2H]-	484.26807	206.2
[M]+	463.29285	211.7
[M]-	463.29395	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.30068

209.3

[M+Na]+

486.28262

212.8

[M-H]-

462.28612

208.6

[M+NH4]+

481.32722

230.2

[M+K]+

502.25656

208.3

[M+H-H2O]+

446.29066

202.6

[M+HCOO]-

508.29160

208.9

[M+CH3COO]-

522.30725

241.0

[M+Na-2H]-

484.26807

206.2

[M]+

463.29285

211.7

[M]-

463.29395

211.7

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

Peregrine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe