CID 44615933

391659-80-6

Structural Information

Molecular Formula
C25H17N5
SMILES
C1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
InChI
InChI=1S/C25H17N5/c26-16-19(25-27-22-13-7-8-14-23(22)28-25)15-20-17-30(21-11-5-2-6-12-21)29-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,27,28)/b19-15-
InChIKey
OCFNABARNURAIJ-CYVLTUHYSA-N
Compound name
(Z)-2-(1H-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1484 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15568 197.3
[M+Na]+ 410.13762 207.7
[M-H]- 386.14112 200.9
[M+NH4]+ 405.18222 204.1
[M+K]+ 426.11156 194.6
[M+H-H2O]+ 370.14566 177.9
[M+HCOO]- 432.14660 210.8
[M+CH3COO]- 446.16225 203.5
[M+Na-2H]- 408.12307 196.5
[M]+ 387.14785 190.4
[M]- 387.14895 190.4
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.