CID 54715428

138304-95-7

Structural Information

Molecular Formula
C22H17N3O3
SMILES
CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(N=CC=C3)N(C2=O)C4=CC=CC=C4)O
InChI
InChI=1S/C22H17N3O3/c1-14-7-5-8-15(13-14)24-21(27)18-19(26)17-11-6-12-23-20(17)25(22(18)28)16-9-3-2-4-10-16/h2-13,26H,1H3,(H,24,27)
InChIKey
GPRJNZRERUVOFB-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

371.12698 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13426 188.9
[M+Na]+ 394.11620 197.5
[M-H]- 370.11970 196.2
[M+NH4]+ 389.16080 197.8
[M+K]+ 410.09014 190.7
[M+H-H2O]+ 354.12424 177.5
[M+HCOO]- 416.12518 207.9
[M+CH3COO]- 430.14083 198.3
[M+Na-2H]- 392.10165 193.7
[M]+ 371.12643 189.1
[M]- 371.12753 189.1
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