2174-13-2 (C23H33NO3)

Structural Information

Molecular Formula

SMILES

CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

InChI

InChI=1S/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3

InChIKey

OVKSHCIVDWZSJD-UHFFFAOYSA-N

Compound name

[17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-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]+	372.253306	191.6
[M+Na]+	394.235248	195.4
[M-H]-	370.238754	195.5
[M+NH4]+	389.279853	212.0
[M+K]+	410.209188	190.8
[M+H-H2O]+	354.243290	185.1
[M+HCOO]-	416.244231	202.1
[M+CH3COO]-	430.259881	222.2
[M+Na-2H]-	392.220696	190.6
[M]+	371.24548142	187.4
[M]-	371.24657858	187.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

372.253306

191.6

[M+Na]+

394.235248

195.4

[M-H]-

370.238754

195.5

[M+NH4]+

389.279853

212.0

[M+K]+

410.209188

190.8

[M+H-H2O]+

354.243290

185.1

[M+HCOO]-

416.244231

202.1

[M+CH3COO]-

430.259881

222.2

[M+Na-2H]-

392.220696

190.6

[M]+

371.24548142

187.4

[M]-

371.24657858

187.4

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

2174-13-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe