CID 367178

Nsc636673

Structural Information

Molecular Formula
C15H11N3O4
SMILES
C1=CC=C(C=C1)NC(=O)OCC2=NC3=C(N2)C(=O)C=CC3=O
InChI
InChI=1S/C15H11N3O4/c19-10-6-7-11(20)14-13(10)17-12(18-14)8-22-15(21)16-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,21)(H,17,18)
InChIKey
ISLJYPPXVQBTQP-UHFFFAOYSA-N
Compound name
(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.07495 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08223 164.3
[M+Na]+ 320.06417 172.3
[M-H]- 296.06767 168.5
[M+NH4]+ 315.10877 178.3
[M+K]+ 336.03811 167.8
[M+H-H2O]+ 280.07221 155.7
[M+HCOO]- 342.07315 184.7
[M+CH3COO]- 356.08880 200.0
[M+Na-2H]- 318.04962 168.4
[M]+ 297.07440 164.3
[M]- 297.07550 164.3
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.