PubChemLite - Corticosterone-21-hemisuccinate sodium (C25H34O7)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COC(=O)CCC(=O)O)C)O

InChI

InChI=1S/C25H34O7/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,23+,24-,25-/m0/s1

InChIKey

KEECMXYFGNWLEA-BIGDRKAKSA-N

Compound name

4-[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-oxoethoxy]-4-oxobutanoic acid

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]+	447.23772	205.5
[M+Na]+	469.21966	207.5
[M-H]-	445.22316	206.0
[M+NH4]+	464.26426	221.1
[M+K]+	485.19360	203.9
[M+H-H2O]+	429.22770	200.7
[M+HCOO]-	491.22864	209.5
[M+CH3COO]-	505.24429	229.5
[M+Na-2H]-	467.20511	201.5
[M]+	446.22989	202.3
[M]-	446.23099	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.23772

205.5

[M+Na]+

469.21966

207.5

[M-H]-

445.22316

206.0

[M+NH4]+

464.26426

221.1

[M+K]+

485.19360

203.9

[M+H-H2O]+

429.22770

200.7

[M+HCOO]-

491.22864

209.5

[M+CH3COO]-

505.24429

229.5

[M+Na-2H]-

467.20511

201.5

[M]+

446.22989

202.3

[M]-

446.23099

202.3

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

Corticosterone-21-hemisuccinate sodium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe