CID 117877

26848-40-8

Structural Information

Molecular Formula
C18H13N3O3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)O
InChI
InChI=1S/C18H13N3O3/c22-16-8-11-4-2-1-3-10(11)7-13(16)17(23)19-12-5-6-14-15(9-12)21-18(24)20-14/h1-9,22H,(H,19,23)(H2,20,21,24)
InChIKey
QSDHDEWDUFYUCO-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

319.0957 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.102976 170.1
[M+Na]+ 342.084918 179.8
[M-H]- 318.088424 173.5
[M+NH4]+ 337.129523 183.2
[M+K]+ 358.058858 172.3
[M+H-H2O]+ 302.092960 161.9
[M+HCOO]- 364.093901 188.5
[M+CH3COO]- 378.109551 180.4
[M+Na-2H]- 340.070366 175.9
[M]+ 319.09515142 169.1
[M]- 319.09624858 169.1
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

patents stripe