CID 9620636

477732-60-8

Structural Information

Molecular Formula
C27H23Cl2N5O3
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C27H23Cl2N5O3/c1-2-15-37-21-13-11-18(12-14-21)25-19(17-34(33-25)20-7-4-3-5-8-20)16-30-32-27(36)26(35)31-23-10-6-9-22(28)24(23)29/h3-14,16-17H,2,15H2,1H3,(H,31,35)(H,32,36)/b30-16+
InChIKey
PHHIGSOEVDLWGD-OKCVXOCRSA-N
Compound name
N-(2,3-dichlorophenyl)-N'-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.1178 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.12508 228.3
[M+Na]+ 558.10702 234.6
[M-H]- 534.11052 239.1
[M+NH4]+ 553.15162 233.4
[M+K]+ 574.08096 227.0
[M+H-H2O]+ 518.11506 216.0
[M+HCOO]- 580.11600 242.7
[M+CH3COO]- 594.13165 250.7
[M+Na-2H]- 556.09247 227.1
[M]+ 535.11725 234.8
[M]- 535.11835 234.8
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.