CID 9601226

Fosinopril

Structural Information

Molecular Formula
C30H46NO7P
SMILES
CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3
InChI
InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1
InChIKey
BIDNLKIUORFRQP-XYGFDPSESA-N
Compound name
(2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

601
References

43269
Patents

563.3012 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.30848 236.1
[M+Na]+ 586.29042 230.9
[M-H]- 562.29392 238.5
[M+NH4]+ 581.33502 238.6
[M+K]+ 602.26436 229.8
[M+H-H2O]+ 546.29846 224.6
[M+HCOO]- 608.29940 247.6
[M+CH3COO]- 622.31505 250.8
[M+Na-2H]- 584.27587 223.2
[M]+ 563.30065 235.5
[M]- 563.30175 235.5
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.