CID 170629

42268-60-0

Structural Information

Molecular Formula
C18H14N2
SMILES
C1=CC=C2C(=C1)C=CC=C2CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H14N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-19-16-10-3-4-11-17(16)20-18/h1-11H,12H2,(H,19,20)
InChIKey
VJRPHCDQRJAVSR-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

258.1157 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12298 158.3
[M+Na]+ 281.10492 168.5
[M-H]- 257.10842 163.3
[M+NH4]+ 276.14952 175.5
[M+K]+ 297.07886 160.7
[M+H-H2O]+ 241.11296 149.4
[M+HCOO]- 303.11390 178.9
[M+CH3COO]- 317.12955 170.4
[M+Na-2H]- 279.09037 166.4
[M]+ 258.11515 158.4
[M]- 258.11625 158.4
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