CID 4226429

17-ketosteroids

Structural Information

Molecular Formula

C₁₈H₂₈O

SMILES

CC12CCC3C4CCCCC4CCC3C1CCC2=O

InChI

InChI=1S/C18H28O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h12-16H,2-11H2,1H3

InChIKey

WYRCRDCGMYGWKP-UHFFFAOYSA-N

Compound name

13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7390
References: 2
Patents: 260.21402 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

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]+	261.22130	165.5
[M+Na]+	283.20324	168.8
[M-H]-	259.20674	169.2
[M+NH4]+	278.24784	188.6
[M+K]+	299.17718	163.4
[M+H-H2O]+	243.21128	158.8
[M+HCOO]-	305.21222	175.5
[M+CH3COO]-	319.22787	174.7
[M+Na-2H]-	281.18869	165.3
[M]+	260.21347	155.5
[M]-	260.21457	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe