CID 16450491

1-(2-methoxybenzyl)-5,6-dimethyl-1h-benzimidazole

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=CC=C3OC
InChI
InChI=1S/C17H18N2O/c1-12-8-15-16(9-13(12)2)19(11-18-15)10-14-6-4-5-7-17(14)20-3/h4-9,11H,10H2,1-3H3
InChIKey
JWAWUUYFZPYWAV-UHFFFAOYSA-N
Compound name
1-[(2-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 162.2
[M+Na]+ 289.131118 173.6
[M-H]- 265.134624 168.3
[M+NH4]+ 284.175723 179.6
[M+K]+ 305.105058 168.3
[M+H-H2O]+ 249.139160 153.6
[M+HCOO]- 311.140101 185.1
[M+CH3COO]- 325.155751 175.4
[M+Na-2H]- 287.116566 166.9
[M]+ 266.14135142 167.3
[M]- 266.14244858 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.