CID 110005815

1710935-18-4

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)CO
InChI
InChI=1S/C15H14N2O/c18-10-13-7-5-12(6-8-13)9-17-11-16-14-3-1-2-4-15(14)17/h1-8,11,18H,9-10H2
InChIKey
BZZVEQIHURWLCW-UHFFFAOYSA-N
Compound name
[4-(benzimidazol-1-ylmethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.6
[M+Na]+ 261.09983 162.6
[M-H]- 237.10333 156.9
[M+NH4]+ 256.14443 169.9
[M+K]+ 277.07377 156.9
[M+H-H2O]+ 221.10787 144.2
[M+HCOO]- 283.10881 174.8
[M+CH3COO]- 297.12446 165.3
[M+Na-2H]- 259.08528 159.5
[M]+ 238.11006 154.4
[M]- 238.11116 154.4
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.