CID 384462

Nsc674264

Structural Information

Molecular Formula
C18H14N2O
SMILES
CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O
InChI
InChI=1S/C18H14N2O/c1-12-6-8-13(9-7-12)14-10-17(21)18-19-15-4-2-3-5-16(15)20(18)11-14/h2-11,21H,1H3
InChIKey
YHWZUALEVUPJAX-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)pyrido[1,2-a]benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11063 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11791 163.1
[M+Na]+ 297.09985 174.9
[M-H]- 273.10335 169.0
[M+NH4]+ 292.14445 180.1
[M+K]+ 313.07379 167.8
[M+H-H2O]+ 257.10789 154.4
[M+HCOO]- 319.10883 183.8
[M+CH3COO]- 333.12448 175.6
[M+Na-2H]- 295.08530 169.6
[M]+ 274.11008 165.3
[M]- 274.11118 165.3
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.