CID 393992

Nsc697077

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCC3=CC=C(C=C3)O
InChI
InChI=1S/C15H14N2O/c18-12-8-5-11(6-9-12)7-10-15-16-13-3-1-2-4-14(13)17-15/h1-6,8-9,18H,7,10H2,(H,16,17)
InChIKey
JUMIUJFTGUYSDM-UHFFFAOYSA-N
Compound name
4-[2-(1H-benzimidazol-2-yl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 152.7
[M+Na]+ 261.099828 162.3
[M-H]- 237.103334 155.7
[M+NH4]+ 256.144433 169.2
[M+K]+ 277.073768 155.7
[M+H-H2O]+ 221.107870 144.7
[M+HCOO]- 283.108811 173.4
[M+CH3COO]- 297.124461 164.7
[M+Na-2H]- 259.085276 159.3
[M]+ 238.11006142 152.7
[M]- 238.11115858 152.7
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.