CID 369382

Nsc641144

Structural Information

Molecular Formula
C32H27N5O4
SMILES
COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C32H27N5O4/c1-40-26-17-13-24(14-18-26)33-28(38)21-29(39)37-32(23-11-7-4-8-12-23)31(30(36-37)22-9-5-3-6-10-22)35-34-25-15-19-27(41-2)20-16-25/h3-20H,21H2,1-2H3,(H,33,38)
InChIKey
IHHUUEYEUCMZKT-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-[4-[(4-methoxyphenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2063 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.21358 231.6
[M+Na]+ 568.19552 235.2
[M-H]- 544.19902 247.0
[M+NH4]+ 563.24012 233.9
[M+K]+ 584.16946 230.2
[M+H-H2O]+ 528.20356 216.4
[M+HCOO]- 590.20450 255.9
[M+CH3COO]- 604.22015 238.4
[M+Na-2H]- 566.18097 232.1
[M]+ 545.20575 235.4
[M]- 545.20685 235.4
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.