CID 84586

1h-benzimidazole, 1,1'-carbonylbis-

Structural Information

Molecular Formula
C15H10N4O
SMILES
C1=CC=C2C(=C1)N=CN2C(=O)N3C=NC4=CC=CC=C43
InChI
InChI=1S/C15H10N4O/c20-15(18-9-16-11-5-1-3-7-13(11)18)19-10-17-12-6-2-4-8-14(12)19/h1-10H
InChIKey
GOQHBKGRSKXWLY-UHFFFAOYSA-N
Compound name
bis(benzimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

262.08545 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 156.2
[M+Na]+ 285.07467 172.7
[M+NH4]+ 280.11927 164.4
[M+K]+ 301.04861 168.8
[M-H]- 261.07817 159.0
[M+Na-2H]- 283.06012 165.2
[M]+ 262.08490 159.4
[M]- 262.08600 159.4
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

patents stripe