CID 1341638

380463-49-0

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 203.1
[M+Na]+ 432.16824 218.9
[M+NH4]+ 427.21284 209.7
[M+K]+ 448.14218 211.2
[M-H]- 408.17174 210.7
[M+Na-2H]- 430.15369 214.2
[M]+ 409.17847 207.5
[M]- 409.17957 207.5
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.