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
1
Annotation Hits

2
References

2520
Patents

329.16608 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17336 182.6
[M+Na]+ 352.15530 183.7
[M-H]- 328.15880 184.6
[M+NH4]+ 347.19990 197.9
[M+K]+ 368.12924 183.2
[M+H-H2O]+ 312.16334 176.7
[M+HCOO]- 374.16428 193.1
[M+CH3COO]- 388.17993 209.8
[M+Na-2H]- 350.14075 176.6
[M]+ 329.16553 184.3
[M]- 329.16663 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.