CID 163724

103287-17-8

Structural Information

Molecular Formula
C19H20Cl2N4O3
SMILES
CC(C)(C)C1=CC(=NN=C1Cl)N2C(CN(C2=O)C)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20Cl2N4O3/c1-19(2,3)13-9-14(22-23-16(13)21)25-15(10-24(4)18(25)27)28-17(26)11-5-7-12(20)8-6-11/h5-9,15H,10H2,1-4H3
InChIKey
OCDJHKGOIXIVHO-UHFFFAOYSA-N
Compound name
[3-(5-tert-butyl-6-chloropyridazin-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.09125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09853 198.0
[M+Na]+ 445.08047 207.9
[M-H]- 421.08397 202.6
[M+NH4]+ 440.12507 206.1
[M+K]+ 461.05441 201.6
[M+H-H2O]+ 405.08851 187.7
[M+HCOO]- 467.08945 202.8
[M+CH3COO]- 481.10510 223.4
[M+Na-2H]- 443.06592 195.3
[M]+ 422.09070 202.9
[M]- 422.09180 202.9
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.