CID 3009970

Akos017462913

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC2=C(C=C1)N=C(N2)C(C3=CC=CC=C3)OC
InChI
InChI=1S/C16H16N2O/c1-11-8-9-13-14(10-11)18-16(17-13)15(19-2)12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,17,18)
InChIKey
FXEPXRIZVVEZAM-UHFFFAOYSA-N
Compound name
2-[methoxy(phenyl)methyl]-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.6
[M+Na]+ 275.11549 166.8
[M-H]- 251.11899 161.9
[M+NH4]+ 270.16009 174.2
[M+K]+ 291.08943 161.4
[M+H-H2O]+ 235.12353 149.2
[M+HCOO]- 297.12447 178.4
[M+CH3COO]- 311.14012 169.7
[M+Na-2H]- 273.10094 162.8
[M]+ 252.12572 159.1
[M]- 252.12682 159.1
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.