CID 6474150

Nsc659378

Structural Information

Molecular Formula
C21H17Cl2N5O3
SMILES
CN(C1=C(C(=O)NN=C1)Cl)NC(=O)/C(=C/C2=CC=CC=C2Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H17Cl2N5O3/c1-28(17-12-24-26-21(31)18(17)23)27-20(30)16(11-14-9-5-6-10-15(14)22)25-19(29)13-7-3-2-4-8-13/h2-12H,1H3,(H,25,29)(H,26,31)(H,27,30)/b16-11-
InChIKey
VRYSHRDIICRCAJ-WJDWOHSUSA-N
Compound name
N-[(Z)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-methylhydrazinyl]-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.07083 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.07811 201.5
[M+Na]+ 480.06005 207.1
[M-H]- 456.06355 208.0
[M+NH4]+ 475.10465 207.2
[M+K]+ 496.03399 200.5
[M+H-H2O]+ 440.06809 191.5
[M+HCOO]- 502.06903 213.2
[M+CH3COO]- 516.08468 235.3
[M+Na-2H]- 478.04550 202.9
[M]+ 457.07028 203.7
[M]- 457.07138 203.7
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.