CID 51060824

881402-89-7

Structural Information

Molecular Formula
C25H18Cl2FN5O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)CNC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H18Cl2FN5O2/c26-21-11-8-17(12-22(21)27)25(35)29-14-23(34)31-30-13-18-15-33(20-4-2-1-3-5-20)32-24(18)16-6-9-19(28)10-7-16/h1-13,15H,14H2,(H,29,35)(H,31,34)/b30-13+
InChIKey
CUYGIMPYGUIPSZ-VVEOGCPPSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.08215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.08943 219.7
[M+Na]+ 532.07137 227.2
[M-H]- 508.07487 229.3
[M+NH4]+ 527.11597 225.7
[M+K]+ 548.04531 218.5
[M+H-H2O]+ 492.07941 206.9
[M+HCOO]- 554.08035 233.5
[M+CH3COO]- 568.09600 227.0
[M+Na-2H]- 530.05682 218.7
[M]+ 509.08160 223.5
[M]- 509.08270 223.5
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.