CID 755513

{1-[(4-methylphenyl)methyl]-1h-1,3-benzodiazol-2-yl}methanol

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CO
InChI
InChI=1S/C16H16N2O/c1-12-6-8-13(9-7-12)10-18-15-5-3-2-4-14(15)17-16(18)11-19/h2-9,19H,10-11H2,1H3
InChIKey
HGWWVTNFOCMXDS-UHFFFAOYSA-N
Compound name
[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

252.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.6
[M+Na]+ 275.11549 168.1
[M-H]- 251.11899 162.1
[M+NH4]+ 270.16009 174.6
[M+K]+ 291.08943 162.2
[M+H-H2O]+ 235.12353 149.3
[M+HCOO]- 297.12447 179.4
[M+CH3COO]- 311.14012 170.2
[M+Na-2H]- 273.10094 163.2
[M]+ 252.12572 160.1
[M]- 252.12682 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe