CID 162581

Prorenoate potassium

Structural Information

Molecular Formula
C23H32O4
SMILES
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(CCC(=O)O)O)C
InChI
InChI=1S/C23H32O4/c1-21-7-3-13(24)11-18(21)14-12-15(14)20-16(21)4-8-22(2)17(20)5-9-23(22,27)10-6-19(25)26/h11,14-17,20,27H,3-10,12H2,1-2H3,(H,25,26)/t14-,15+,16+,17+,20-,21-,22+,23-/m1/s1
InChIKey
OHZWNMVYJJTNKU-VAFIVCJBSA-N
Compound name
3-[(1R,2R,4R,10R,11S,14S,15R,18S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-enyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

571
Patents

372.23007 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23735 192.2
[M+Na]+ 395.21929 199.5
[M-H]- 371.22279 195.0
[M+NH4]+ 390.26389 209.3
[M+K]+ 411.19323 193.7
[M+H-H2O]+ 355.22733 188.0
[M+HCOO]- 417.22827 196.3
[M+CH3COO]- 431.24392 199.4
[M+Na-2H]- 393.20474 192.2
[M]+ 372.22952 191.3
[M]- 372.23062 191.3
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.