CID 9652234

477732-62-0

Structural Information

Molecular Formula
C25H19Cl2N5O2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H19Cl2N5O2/c1-16-7-9-17(10-8-16)23-18(15-32(31-23)20-5-3-2-4-6-20)14-28-30-25(34)24(33)29-19-11-12-21(26)22(27)13-19/h2-15H,1H3,(H,29,33)(H,30,34)/b28-14+
InChIKey
OYWCUSRCZLLREC-CCVNUDIWSA-N
Compound name
N-(3,4-dichlorophenyl)-N'-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.09158 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.09886 218.5
[M+Na]+ 514.08080 226.0
[M-H]- 490.08430 229.5
[M+NH4]+ 509.12540 225.4
[M+K]+ 530.05474 217.8
[M+H-H2O]+ 474.08884 206.7
[M+HCOO]- 536.08978 233.3
[M+CH3COO]- 550.10543 226.3
[M+Na-2H]- 512.06625 217.9
[M]+ 491.09103 223.0
[M]- 491.09213 223.0
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.