CID 369708

Nsc641755

Structural Information

Molecular Formula
C32H25N5O5
SMILES
COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4C(=O)O)C5=CC=CC=C5
InChI
InChI=1S/C32H25N5O5/c1-42-24-18-16-23(17-19-24)33-27(38)20-28(39)37-31(22-12-6-3-7-13-22)30(29(36-37)21-10-4-2-5-11-21)35-34-26-15-9-8-14-25(26)32(40)41/h2-19H,20H2,1H3,(H,33,38)(H,40,41)
InChIKey
HFAVYURVBBQBOW-UHFFFAOYSA-N
Compound name
2-[[1-[3-(4-methoxyanilino)-3-oxopropanoyl]-3,5-diphenylpyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.18555 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.19283 231.4
[M+Na]+ 582.17477 234.1
[M-H]- 558.17827 245.9
[M+NH4]+ 577.21937 232.3
[M+K]+ 598.14871 229.7
[M+H-H2O]+ 542.18281 217.0
[M+HCOO]- 604.18375 253.8
[M+CH3COO]- 618.19940 260.0
[M+Na-2H]- 580.16022 231.2
[M]+ 559.18500 233.7
[M]- 559.18610 233.7
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.