CID 246546

2-(5,6-dimethyl-2-benzimidazolyl)phenol

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C3=CC=CC=C3O
InChI
InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15(16-12)11-5-3-4-6-14(11)18/h3-8,18H,1-2H3,(H,16,17)
InChIKey
NAYVWQJEVVYUAR-UHFFFAOYSA-N
Compound name
2-(5,6-dimethyl-1H-benzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

238.11061 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.5
[M+Na]+ 261.09983 165.0
[M-H]- 237.10333 157.4
[M+NH4]+ 256.14443 170.8
[M+K]+ 277.07377 158.5
[M+H-H2O]+ 221.10787 146.1
[M+HCOO]- 283.10881 174.2
[M+CH3COO]- 297.12446 166.3
[M+Na-2H]- 259.08528 158.6
[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

literature stripe

Patent stripe

patents stripe