CID 145998367

Xz456

Structural Information

Molecular Formula
C22H18N4O4
SMILES
COC(=O)C1=C(C2=C(N=CC=C2)N(C1=O)O)NC3=CC=C(C=C3)C4=CC=C(C=C4)N
InChI
InChI=1S/C22H18N4O4/c1-30-22(28)18-19(17-3-2-12-24-20(17)26(29)21(18)27)25-16-10-6-14(7-11-16)13-4-8-15(23)9-5-13/h2-12,25,29H,23H2,1H3
InChIKey
AZXVDQTXPFRVJO-UHFFFAOYSA-N
Compound name
methyl 4-[4-(4-aminophenyl)anilino]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.1328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14008 195.8
[M+Na]+ 425.12202 204.1
[M-H]- 401.12552 203.0
[M+NH4]+ 420.16662 203.0
[M+K]+ 441.09596 198.2
[M+H-H2O]+ 385.13006 184.2
[M+HCOO]- 447.13100 215.3
[M+CH3COO]- 461.14665 204.6
[M+Na-2H]- 423.10747 199.7
[M]+ 402.13225 196.3
[M]- 402.13335 196.3
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

No patent data available for this compound.