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 196.3
[M+Na]+ 425.12202 211.6
[M+NH4]+ 420.16662 201.8
[M+K]+ 441.09596 204.6
[M-H]- 401.12552 202.1
[M+Na-2H]- 423.10747 204.8
[M]+ 402.13225 200.0
[M]- 402.13335 200.0
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.