CID 143274

Nsc641051

Structural Information

Molecular Formula
C19H13N3O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C=O)O)C(=O)NC3=CC4=C(C=C3)NC(=O)N4
InChI
InChI=1S/C19H13N3O4/c23-9-14-12-4-2-1-3-10(12)7-13(17(14)24)18(25)20-11-5-6-15-16(8-11)22-19(26)21-15/h1-9,24H,(H,20,25)(H2,21,22,26)
InChIKey
XIOIVLSJFCJVLX-UHFFFAOYSA-N
Compound name
4-formyl-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09788 177.4
[M+Na]+ 370.07982 187.5
[M-H]- 346.08332 181.1
[M+NH4]+ 365.12442 189.4
[M+K]+ 386.05376 180.1
[M+H-H2O]+ 330.08786 169.1
[M+HCOO]- 392.08880 195.7
[M+CH3COO]- 406.10445 187.4
[M+Na-2H]- 368.06527 182.1
[M]+ 347.09005 177.9
[M]- 347.09115 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.