PubChemLite - Colpormon (C22H26O5)

Structural Information

Molecular Formula

SMILES

CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)OC(=O)C

InChI

InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(21(22)25)27-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,22+/m1/s1

InChIKey

QZQSENRWYLQIPC-JPVHLGFFSA-N

Compound name

[(8R,9S,13S,14S,16R)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-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]+	371.18528	187.5
[M+Na]+	393.16722	196.8
[M+NH4]+	388.21182	196.4
[M+K]+	409.14116	190.9
[M-H]-	369.17072	188.7
[M+Na-2H]-	391.15267	188.1
[M]+	370.17745	189.0
[M]-	370.17855	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.18528

187.5

[M+Na]+

393.16722

196.8

[M+NH4]+

388.21182

196.4

[M+K]+

409.14116

190.9

[M-H]-

369.17072

188.7

[M+Na-2H]-

391.15267

188.1

[M]+

370.17745

189.0

[M]-

370.17855

189.0

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

Colpormon

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe