CID 76183

2904-04-3

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 195.8
[M+Na]+ 446.06448 208.2
[M+NH4]+ 441.10908 201.5
[M+K]+ 462.03842 201.5
[M-H]- 422.06798 200.1
[M+Na-2H]- 444.04993 202.0
[M]+ 423.07471 199.2
[M]- 423.07581 199.2
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