CID 90970

Einecs 245-856-8

Structural Information

Molecular Formula
C17H15ClN4O5
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)OC)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-12-4-6-13(27-2)7-5-12)21-20-14-8-3-11(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)
InChIKey
OFVGYSFBEXROII-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

390.0731 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08038 185.3
[M+Na]+ 413.06232 196.7
[M+NH4]+ 408.10692 190.5
[M+K]+ 429.03626 193.9
[M-H]- 389.06582 190.6
[M+Na-2H]- 411.04777 191.8
[M]+ 390.07255 188.2
[M]- 390.07365 188.2
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