CID 3009975

2-[methoxy(phenyl)methyl]-1-methyl-1h-benzimidazole

Structural Information

Molecular Formula
C16H16N2O
SMILES
CN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)OC
InChI
InChI=1S/C16H16N2O/c1-18-14-11-7-6-10-13(14)17-16(18)15(19-2)12-8-4-3-5-9-12/h3-11,15H,1-2H3
InChIKey
MHJDNZRORLTXGT-UHFFFAOYSA-N
Compound name
2-[methoxy(phenyl)methyl]-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.5
[M+Na]+ 275.11549 167.1
[M-H]- 251.11899 163.1
[M+NH4]+ 270.16009 174.7
[M+K]+ 291.08943 162.6
[M+H-H2O]+ 235.12353 148.7
[M+HCOO]- 297.12447 179.7
[M+CH3COO]- 311.14012 170.2
[M+Na-2H]- 273.10094 163.1
[M]+ 252.12572 160.8
[M]- 252.12682 160.8
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.