CID 65960

Idrapril

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CN(CC(=O)NO)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChI
InChI=1S/C11H18N2O5/c1-13(6-9(14)12-18)10(15)7-4-2-3-5-8(7)11(16)17/h7-8,18H,2-6H2,1H3,(H,12,14)(H,16,17)/t7-,8+/m1/s1
InChIKey
QKIVRALZQSUWHH-SFYZADRCSA-N
Compound name
(1S,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

962
Patents

258.12158 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 157.9
[M+Na]+ 281.11080 162.1
[M+NH4]+ 276.15540 161.8
[M+K]+ 297.08474 161.3
[M-H]- 257.11430 156.2
[M+Na-2H]- 279.09625 157.8
[M]+ 258.12103 157.1
[M]- 258.12213 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe