CID 65680

Zabiciprilat

Structural Information

Molecular Formula
C21H28N2O5
SMILES
C[C@@H](C(=O)N1[C@@H](C2CCC1CC2)C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H28N2O5/c1-13(22-17(20(25)26)12-7-14-5-3-2-4-6-14)19(24)23-16-10-8-15(9-11-16)18(23)21(27)28/h2-6,13,15-18,22H,7-12H2,1H3,(H,25,26)(H,27,28)/t13-,15?,16?,17-,18-/m0/s1
InChIKey
HBZJVGFXZTUXNI-XMQLQKOFSA-N
Compound name
(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

598
Patents

388.19983 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20711 183.6
[M+Na]+ 411.18905 188.7
[M+NH4]+ 406.23365 189.0
[M+K]+ 427.16299 185.8
[M-H]- 387.19255 179.8
[M+Na-2H]- 409.17450 178.6
[M]+ 388.19928 182.5
[M]- 388.20038 182.5
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