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]+ 462.192456 214.9
[M+Na]+ 484.174398 225.8
[M-H]- 460.177904 220.3
[M+NH4]+ 479.219003 220.0
[M+K]+ 500.148338 214.7
[M+H-H2O]+ 444.182440 195.1
[M+HCOO]- 506.183381 228.9
[M+CH3COO]- 520.199031 221.0
[M+Na-2H]- 482.159846 211.2
[M]+ 461.18463142 213.6
[M]- 461.18572858 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.