CID 372602

Nsc647963

Structural Information

Molecular Formula
C32H26ClN5O3
SMILES
CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5
InChI
InChI=1S/C32H26ClN5O3/c1-2-41-25-19-17-24(18-20-25)35-36-31-30(22-11-5-3-6-12-22)37-38(32(31)23-13-7-4-8-14-23)29(40)21-28(39)34-27-16-10-9-15-26(27)33/h3-20H,2,21H2,1H3,(H,34,39)
InChIKey
NGNIXKXUARQBOI-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-[4-[(4-ethoxyphenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.1724 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.17968 237.6
[M+Na]+ 586.16162 242.4
[M-H]- 562.16512 252.7
[M+NH4]+ 581.20622 240.4
[M+K]+ 602.13556 235.3
[M+H-H2O]+ 546.16966 222.7
[M+HCOO]- 608.17060 257.3
[M+CH3COO]- 622.18625 244.2
[M+Na-2H]- 584.14707 237.2
[M]+ 563.17185 243.0
[M]- 563.17295 243.0
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.