CID 110131

Einecs 269-982-8

Structural Information

Molecular Formula
C17H15ClN4O4
SMILES
CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H15ClN4O4/c1-10-5-3-4-6-13(10)19-17(24)16(11(2)23)21-20-14-8-7-12(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)
InChIKey
LBFPUDOPAKZQRX-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0782 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08548 185.6
[M+Na]+ 397.06742 190.2
[M-H]- 373.07092 194.5
[M+NH4]+ 392.11202 197.4
[M+K]+ 413.04136 183.4
[M+H-H2O]+ 357.07546 181.6
[M+HCOO]- 419.07640 209.2
[M+CH3COO]- 433.09205 221.7
[M+Na-2H]- 395.05287 189.2
[M]+ 374.07765 188.1
[M]- 374.07875 188.1
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

No patent data available for this compound.