CID 135409548

Leteprinim

Structural Information

Molecular Formula
C15H13N5O4
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)
InChIKey
JMPOIZCOJJMTHI-UHFFFAOYSA-N
Compound name
4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

1808
Patents

327.09674 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10402 172.2
[M+Na]+ 350.08596 183.9
[M+NH4]+ 345.13056 175.6
[M+K]+ 366.05990 182.0
[M-H]- 326.08946 171.6
[M+Na-2H]- 348.07141 177.2
[M]+ 327.09619 173.1
[M]- 327.09729 173.1
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