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]+ 239.11789 152.7
[M+Na]+ 261.09983 162.3
[M-H]- 237.10333 155.7
[M+NH4]+ 256.14443 169.2
[M+K]+ 277.07377 155.7
[M+H-H2O]+ 221.10787 144.7
[M+HCOO]- 283.10881 173.4
[M+CH3COO]- 297.12446 164.7
[M+Na-2H]- 259.08528 159.3
[M]+ 238.11006 152.7
[M]- 238.11116 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.