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]+ 509.254716 227.4
[M+Na]+ 531.236658 231.6
[M-H]- 507.240164 238.0
[M+NH4]+ 526.281263 231.6
[M+K]+ 547.210598 225.3
[M+H-H2O]+ 491.244700 215.4
[M+HCOO]- 553.245641 245.7
[M+CH3COO]- 567.261291 251.6
[M+Na-2H]- 529.222106 221.6
[M]+ 508.24689142 228.6
[M]- 508.24798858 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.