CID 3075177

172753-12-7

Structural Information

Molecular Formula
C24H26N4O4
SMILES
CCOC(=O)/C(=C/NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/C(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C24H26N4O4/c1-5-32-24(31)20(22(29)26-18-13-11-16(2)12-14-18)15-25-21-17(3)27(4)28(23(21)30)19-9-7-6-8-10-19/h6-15,25H,5H2,1-4H3,(H,26,29)/b20-15+
InChIKey
ZWEZNELOHAUUDS-HMMYKYKNSA-N
Compound name
ethyl (E)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-[(4-methylphenyl)carbamoyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1954 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20268 205.8
[M+Na]+ 457.18462 216.4
[M+NH4]+ 452.22922 209.0
[M+K]+ 473.15856 213.1
[M-H]- 433.18812 209.0
[M+Na-2H]- 455.17007 211.3
[M]+ 434.19485 207.7
[M]- 434.19595 207.7
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.