CID 16429027

(2z)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]-2-(1-methyl-1h-benzimidazol-2-yl)-2-propenenitrile

Structural Information

Molecular Formula
C28H23N5O2
SMILES
CN1C2=CC=CC=C2N=C1/C(=C\C3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)/C#N
InChI
InChI=1S/C28H23N5O2/c1-32-24-12-8-7-11-23(24)30-28(32)20(17-29)15-21-18-33(22-9-5-4-6-10-22)31-27(21)19-13-14-25(34-2)26(16-19)35-3/h4-16,18H,1-3H3/b20-15-
InChIKey
FFWCYNOLVQXVAW-HKWRFOASSA-N
Compound name
(Z)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.18518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.19246 214.9
[M+Na]+ 484.17440 225.8
[M-H]- 460.17790 220.3
[M+NH4]+ 479.21900 220.0
[M+K]+ 500.14834 214.7
[M+H-H2O]+ 444.18244 195.1
[M+HCOO]- 506.18338 228.9
[M+CH3COO]- 520.19903 221.0
[M+Na-2H]- 482.15985 211.2
[M]+ 461.18463 213.6
[M]- 461.18573 213.6
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.