CID 4474466

1-benzyl-5,6-dimethyl-1h-benzimidazole

Structural Information

Molecular Formula
C16H16N2
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H16N2/c1-12-8-15-16(9-13(12)2)18(11-17-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKey
QBSPTCPKPKHYPX-UHFFFAOYSA-N
Compound name
1-benzyl-5,6-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

236.13135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 153.9
[M+Na]+ 259.120568 165.1
[M-H]- 235.124074 159.8
[M+NH4]+ 254.165173 172.4
[M+K]+ 275.094508 159.4
[M+H-H2O]+ 219.128610 145.5
[M+HCOO]- 281.129551 177.1
[M+CH3COO]- 295.145201 167.4
[M+Na-2H]- 257.106016 160.0
[M]+ 236.13080142 156.9
[M]- 236.13189858 156.9
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