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]+ 388.155676 197.3
[M+Na]+ 410.137618 207.7
[M-H]- 386.141124 200.9
[M+NH4]+ 405.182223 204.1
[M+K]+ 426.111558 194.6
[M+H-H2O]+ 370.145660 177.9
[M+HCOO]- 432.146601 210.8
[M+CH3COO]- 446.162251 203.5
[M+Na-2H]- 408.123066 196.5
[M]+ 387.14785142 190.4
[M]- 387.14894858 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.