CID 3019005

81705-13-7

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CC1=C(C=CC(=C1)Cl)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H16ClN3O2/c1-11-10-13(18)8-9-15(11)20-21-16(12(2)22)17(23)19-14-6-4-3-5-7-14/h3-10,16H,1-2H3,(H,19,23)
InChIKey
XLSCUTKKIMDIKT-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2-methylphenyl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 177.2
[M+Na]+ 352.082318 183.4
[M-H]- 328.085824 186.4
[M+NH4]+ 347.126923 192.0
[M+K]+ 368.056258 179.6
[M+H-H2O]+ 312.090360 168.8
[M+HCOO]- 374.091301 200.1
[M+CH3COO]- 388.106951 219.8
[M+Na-2H]- 350.067766 180.0
[M]+ 329.09255142 180.9
[M]- 329.09364858 180.9
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

No patent data available for this compound.