CID 103621

52320-66-8

Structural Information

Molecular Formula
C18H17ClN4O5
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C18H17ClN4O5/c1-3-28-14-7-5-13(6-8-14)20-18(25)17(11(2)24)22-21-15-9-4-12(19)10-16(15)23(26)27/h4-10,17H,3H2,1-2H3,(H,20,25)
InChIKey
ZCDDNAUHUZEVSJ-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-ethoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

404.08875 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.09603 189.7
[M+Na]+ 427.07797 200.9
[M+NH4]+ 422.12257 194.8
[M+K]+ 443.05191 197.9
[M-H]- 403.08147 195.0
[M+Na-2H]- 425.06342 196.0
[M]+ 404.08820 192.6
[M]- 404.08930 192.6
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