CID 9649188

477732-15-3

Structural Information

Molecular Formula
C25H19Cl2N5O2
SMILES
CC1=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/C25H19Cl2N5O2/c1-16-10-12-17(13-11-16)23-18(15-32(31-23)19-6-3-2-4-7-19)14-28-30-25(34)24(33)29-21-9-5-8-20(26)22(21)27/h2-15H,1H3,(H,29,33)(H,30,34)/b28-14+
InChIKey
SDIBADACGPGPRB-CCVNUDIWSA-N
Compound name
N-(2,3-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 217.5
[M+Na]+ 514.08080 232.8
[M+NH4]+ 509.12540 223.5
[M+K]+ 530.05474 224.9
[M-H]- 490.08430 225.4
[M+Na-2H]- 512.06625 227.8
[M]+ 491.09103 222.4
[M]- 491.09213 222.4
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.