PubChemLite - Corticosterone acetate (C23H32O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1

InChIKey

WKQCPUMQBMFPLC-ZWFCQKKLSA-N

Compound name

[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 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]+	389.23226	194.3
[M+Na]+	411.21420	200.9
[M+NH4]+	406.25880	203.9
[M+K]+	427.18814	193.8
[M-H]-	387.21770	194.3
[M+Na-2H]-	409.19965	193.9
[M]+	388.22443	195.1
[M]-	388.22553	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.23226

194.3

[M+Na]+

411.21420

200.9

[M+NH4]+

406.25880

203.9

[M+K]+

427.18814

193.8

[M-H]-

387.21770

194.3

[M+Na-2H]-

409.19965

193.9

[M]+

388.22443

195.1

[M]-

388.22553

195.1

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

Corticosterone acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe