CID 5464344

Imidaprilat

Structural Information

Molecular Formula
C18H23N3O6
SMILES
C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
InChIKey
VFAVNRVDTAPBNR-UBHSHLNASA-N
Compound name
(4S)-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

124
Patents

377.1587 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16598 186.3
[M+Na]+ 400.14792 191.1
[M+NH4]+ 395.19252 187.6
[M+K]+ 416.12186 192.8
[M-H]- 376.15142 183.5
[M+Na-2H]- 398.13337 185.7
[M]+ 377.15815 185.2
[M]- 377.15925 185.2
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