CID 888562

N-(2-tert-butylphenyl)-2-chloro-4-nitrobenzamide

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
CC(C)(C)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H17ClN2O3/c1-17(2,3)13-6-4-5-7-15(13)19-16(21)12-9-8-11(20(22)23)10-14(12)18/h4-10H,1-3H3,(H,19,21)
InChIKey
OCDBLPGQIIILJL-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-2-chloro-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.100046 176.4
[M+Na]+ 355.081988 182.8
[M-H]- 331.085494 183.1
[M+NH4]+ 350.126593 190.0
[M+K]+ 371.055928 174.2
[M+H-H2O]+ 315.090030 174.3
[M+HCOO]- 377.090971 195.0
[M+CH3COO]- 391.106621 205.1
[M+Na-2H]- 353.067436 181.6
[M]+ 332.09222142 177.6
[M]- 332.09331858 177.6
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

No patent data available for this compound.