CID 3061054

3(2h)-pyridazinone, 4-acetyl-5,6-bis(4-chlorophenyl)-2-(2-(formyloxy)ethyl)-

Structural Information

Molecular Formula
C21H16Cl2N2O4
SMILES
CC(=O)C1=C(C(=NN(C1=O)CCOC=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H16Cl2N2O4/c1-13(27)18-19(14-2-6-16(22)7-3-14)20(15-4-8-17(23)9-5-15)24-25(21(18)28)10-11-29-12-26/h2-9,12H,10-11H2,1H3
InChIKey
JYGICDRMWDXYQB-UHFFFAOYSA-N
Compound name
2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.0487 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05598 196.9
[M+Na]+ 453.03792 215.1
[M+NH4]+ 448.08252 203.0
[M+K]+ 469.01186 205.9
[M-H]- 429.04142 201.3
[M+Na-2H]- 451.02337 205.9
[M]+ 430.04815 201.5
[M]- 430.04925 201.5
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

patents stripe