CID 1341638

(2e)-n-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]prop-2-enamide

Structural Information

Molecular Formula
C26H23N3O2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12+
InChIKey
NIJMJFICBBEJPP-SFQUDFHCSA-N
Compound name
(E)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.17902 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18630 201.6
[M+Na]+ 432.16824 208.0
[M-H]- 408.17174 211.9
[M+NH4]+ 427.21284 210.1
[M+K]+ 448.14218 200.6
[M+H-H2O]+ 392.17628 189.4
[M+HCOO]- 454.17722 223.1
[M+CH3COO]- 468.19287 210.5
[M+Na-2H]- 430.15369 201.7
[M]+ 409.17847 202.5
[M]- 409.17957 202.5
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.