CID 222786

Cortisone

Structural Information

Molecular Formula
C21H28O5
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey
MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Compound name
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

21192
References

117038
Patents

360.19366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20094 185.4
[M+Na]+ 383.18288 191.5
[M-H]- 359.18638 187.4
[M+NH4]+ 378.22748 207.2
[M+K]+ 399.15682 186.2
[M+H-H2O]+ 343.19092 180.8
[M+HCOO]- 405.19186 192.5
[M+CH3COO]- 419.20751 212.4
[M+Na-2H]- 381.16833 185.8
[M]+ 360.19311 180.6
[M]- 360.19421 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.