CID 9669298

477732-67-5

Structural Information

Molecular Formula
C24H16Cl2FN5O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H16Cl2FN5O2/c25-20-11-10-18(12-21(20)26)29-23(33)24(34)30-28-13-16-14-32(19-4-2-1-3-5-19)31-22(16)15-6-8-17(27)9-7-15/h1-14H,(H,29,33)(H,30,34)/b28-13+
InChIKey
YIAKMMSVMHHLDV-XODNFHPESA-N
Compound name
N-(3,4-dichlorophenyl)-N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.0665 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.07378 215.8
[M+Na]+ 518.05572 223.9
[M-H]- 494.05922 225.7
[M+NH4]+ 513.10032 222.6
[M+K]+ 534.02966 215.4
[M+H-H2O]+ 478.06376 203.3
[M+HCOO]- 540.06470 230.0
[M+CH3COO]- 554.08035 223.6
[M+Na-2H]- 516.04117 215.3
[M]+ 495.06595 219.3
[M]- 495.06705 219.3
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.