CID 16450491

890634-59-0

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]+ 267.14918 162.2
[M+Na]+ 289.13112 173.6
[M-H]- 265.13462 168.3
[M+NH4]+ 284.17572 179.6
[M+K]+ 305.10506 168.3
[M+H-H2O]+ 249.13916 153.6
[M+HCOO]- 311.14010 185.1
[M+CH3COO]- 325.15575 175.4
[M+Na-2H]- 287.11657 166.9
[M]+ 266.14135 167.3
[M]- 266.14245 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.