CID 5464343

Imidapril

Structural Information

Molecular Formula
C20H27N3O6
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O
InChI
InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
InChIKey
KLZWOWYOHUKJIG-BPUTZDHNSA-N
Compound name
(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

251
References

14592
Patents

405.18997 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19725 194.4
[M+Na]+ 428.17919 199.4
[M+NH4]+ 423.22379 195.7
[M+K]+ 444.15313 200.3
[M-H]- 404.18269 192.0
[M+Na-2H]- 426.16464 193.9
[M]+ 405.18942 193.5
[M]- 405.19052 193.5
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