CID 16747643

951650-22-9

Structural Information

Molecular Formula
C23H19N3O
SMILES
CC(C)(C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)O
InChI
InChI=1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3
InChIKey
HLKYSQGBIIIQJN-UHFFFAOYSA-N
Compound name
2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

29
Patents

353.1528 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16008 189.3
[M+Na]+ 376.14202 205.3
[M+NH4]+ 371.18662 193.8
[M+K]+ 392.11596 194.9
[M-H]- 352.14552 187.3
[M+Na-2H]- 374.12747 196.2
[M]+ 353.15225 190.6
[M]- 353.15335 190.6
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