CID 6513975

N-[(z)-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)amino]carbonyl}-2-(4-isopropylphenyl)ethenyl]-4-methylbenzamide

Structural Information

Molecular Formula
C31H32N4O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)C(C)C)/C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C31H32N4O3/c1-20(2)24-17-13-23(14-18-24)19-27(32-29(36)25-15-11-21(3)12-16-25)30(37)33-28-22(4)34(5)35(31(28)38)26-9-7-6-8-10-26/h6-20H,1-5H3,(H,32,36)(H,33,37)/b27-19-
InChIKey
AXVHGPZDDONREV-DIBXZPPDSA-N
Compound name
N-[(Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.24744 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.25472 227.4
[M+Na]+ 531.23666 231.6
[M-H]- 507.24016 238.0
[M+NH4]+ 526.28126 231.6
[M+K]+ 547.21060 225.3
[M+H-H2O]+ 491.24470 215.4
[M+HCOO]- 553.24564 245.7
[M+CH3COO]- 567.26129 251.6
[M+Na-2H]- 529.22211 221.6
[M]+ 508.24689 228.6
[M]- 508.24799 228.6
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.