CID 789497

3652-93-5

Structural Information

Molecular Formula
C15H16N2O
SMILES
CN1C(N(C2=CC=CC=C21)C)C3=CC=CC=C3O
InChI
InChI=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3
InChIKey
NNENGKYNKIWEEY-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

240.12627 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.4
[M+Na]+ 263.11549 165.3
[M-H]- 239.11899 159.8
[M+NH4]+ 258.16009 173.1
[M+K]+ 279.08943 160.0
[M+H-H2O]+ 223.12353 147.6
[M+HCOO]- 285.12447 174.7
[M+CH3COO]- 299.14012 167.8
[M+Na-2H]- 261.10094 158.9
[M]+ 240.12572 155.2
[M]- 240.12682 155.2
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