PubChemLite - 131267-80-6 (C24H37NO2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=CC(=O)CC[C@]34C

InChI

InChI=1S/C24H37NO2/c1-22(2,3)25-21(27)20-9-8-18-17-7-6-15-14-16(26)10-12-23(15,4)19(17)11-13-24(18,20)5/h14,17-20H,6-13H2,1-5H3,(H,25,27)/t17-,18-,19-,20+,23-,24-/m0/s1

InChIKey

ROEIROHDVYUAGF-ZEQQQVMLSA-N

Compound name

(8S,9S,10R,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide

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]+	372.28972	194.1
[M+Na]+	394.27166	197.3
[M-H]-	370.27516	197.6
[M+NH4]+	389.31626	214.7
[M+K]+	410.24560	192.1
[M+H-H2O]+	354.27970	188.2
[M+HCOO]-	416.28064	202.0
[M+CH3COO]-	430.29629	222.9
[M+Na-2H]-	392.25711	193.8
[M]+	371.28189	187.6
[M]-	371.28299	187.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

372.28972

194.1

[M+Na]+

394.27166

197.3

[M-H]-

370.27516

197.6

[M+NH4]+

389.31626

214.7

[M+K]+

410.24560

192.1

[M+H-H2O]+

354.27970

188.2

[M+HCOO]-

416.28064

202.0

[M+CH3COO]-

430.29629

222.9

[M+Na-2H]-

392.25711

193.8

[M]+

371.28189

187.6

[M]-

371.28299

187.6

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

131267-80-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe