CID 377743

Nsc659334

Structural Information

Molecular Formula
C16H16N2O
SMILES
COC1=CC=C(C=C1)CCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C16H16N2O/c1-19-14-8-6-13(7-9-14)10-11-18-12-17-15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3
InChIKey
DGLZHAXLNPRZMZ-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.12627 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.2
[M+Na]+ 275.11549 167.1
[M-H]- 251.11899 162.6
[M+NH4]+ 270.16009 174.5
[M+K]+ 291.08943 162.1
[M+H-H2O]+ 235.12353 148.2
[M+HCOO]- 297.12447 180.4
[M+CH3COO]- 311.14012 170.0
[M+Na-2H]- 273.10094 163.9
[M]+ 252.12572 161.0
[M]- 252.12682 161.0
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.