CID 6917956

Pivopril

Structural Information

Molecular Formula
C16H27NO4S
SMILES
C[C@H](CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
InChI
InChI=1S/C16H27NO4S/c1-11(10-22-15(21)16(2,3)4)14(20)17(9-13(18)19)12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKey
XRKXJJYSKUIIEN-LLVKDONJSA-N
Compound name
2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2534
Patents

329.16608 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.173356 182.6
[M+Na]+ 352.155298 183.7
[M-H]- 328.158804 184.6
[M+NH4]+ 347.199903 197.9
[M+K]+ 368.129238 183.2
[M+H-H2O]+ 312.163340 176.7
[M+HCOO]- 374.164281 193.1
[M+CH3COO]- 388.179931 209.8
[M+Na-2H]- 350.140746 176.6
[M]+ 329.16553142 184.3
[M]- 329.16662858 184.3
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.