CID 122611

32432-45-4

Structural Information

Molecular Formula
C17H14Cl2N4O4
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H14Cl2N4O4/c1-9-7-11(18)3-5-13(9)20-17(25)16(10(2)24)22-21-14-6-4-12(19)8-15(14)23(26)27/h3-8,16H,1-2H3,(H,20,25)
InChIKey
WLFKZMHSYFTYSW-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

408.0392 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04648 189.3
[M+Na]+ 431.02842 202.0
[M+NH4]+ 426.07302 195.2
[M+K]+ 447.00236 197.9
[M-H]- 407.03192 194.9
[M+Na-2H]- 429.01387 195.8
[M]+ 408.03865 192.9
[M]- 408.03975 192.9
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

patents stripe