CID 333947

3878-69-1

Structural Information

Molecular Formula
C16H14N4
SMILES
CN1C2=CC=CC=C2N=C1C3=NC4=CC=CC=C4N3C
InChI
InChI=1S/C16H14N4/c1-19-13-9-5-3-7-11(13)17-15(19)16-18-12-8-4-6-10-14(12)20(16)2/h3-10H,1-2H3
InChIKey
BPFMKTFBBPGYDF-UHFFFAOYSA-N
Compound name
1-methyl-2-(1-methylbenzimidazol-2-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.12186 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12914 160.6
[M+Na]+ 285.11108 174.7
[M-H]- 261.11458 166.1
[M+NH4]+ 280.15568 178.2
[M+K]+ 301.08502 168.2
[M+H-H2O]+ 245.11912 151.3
[M+HCOO]- 307.12006 182.8
[M+CH3COO]- 321.13571 174.0
[M+Na-2H]- 283.09653 165.9
[M]+ 262.12131 166.0
[M]- 262.12241 166.0
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