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

76
Patents

319.0957 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10298 170.1
[M+Na]+ 342.08492 179.8
[M-H]- 318.08842 173.5
[M+NH4]+ 337.12952 183.2
[M+K]+ 358.05886 172.3
[M+H-H2O]+ 302.09296 161.9
[M+HCOO]- 364.09390 188.5
[M+CH3COO]- 378.10955 180.4
[M+Na-2H]- 340.07037 175.9
[M]+ 319.09515 169.1
[M]- 319.09625 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