CID 76183

Einecs 220-802-6

Structural Information

Molecular Formula
C19H19Cl2N3O4
SMILES
CC1=C(C=CC(=C1)Cl)N=NC(C(=O)C)C(=O)NC2=CC(=C(C=C2OC)Cl)OC
InChI
InChI=1S/C19H19Cl2N3O4/c1-10-7-12(20)5-6-14(10)23-24-18(11(2)25)19(26)22-15-9-16(27-3)13(21)8-17(15)28-4/h5-9,18H,1-4H3,(H,22,26)
InChIKey
NEPSDTXFAQMVCI-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-chloro-2-methylphenyl)diazenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

423.07526 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.08254 197.1
[M+Na]+ 446.06448 205.2
[M-H]- 422.06798 206.4
[M+NH4]+ 441.10908 209.5
[M+K]+ 462.03842 201.6
[M+H-H2O]+ 406.07252 189.7
[M+HCOO]- 468.07346 214.7
[M+CH3COO]- 482.08911 237.5
[M+Na-2H]- 444.04993 196.5
[M]+ 423.07471 207.0
[M]- 423.07581 207.0
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