CID 1641535

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

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H17ClN2O3/c1-2-3-4-12-5-7-13(8-6-12)19-17(21)15-10-9-14(20(22)23)11-16(15)18/h5-11H,2-4H2,1H3,(H,19,21)
InChIKey
GCROSISSFPFKJP-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-chloro-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.09277 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.100046 177.6
[M+Na]+ 355.081988 183.5
[M-H]- 331.085494 183.8
[M+NH4]+ 350.126593 191.0
[M+K]+ 371.055928 174.2
[M+H-H2O]+ 315.090030 174.8
[M+HCOO]- 377.090971 197.7
[M+CH3COO]- 391.106621 205.6
[M+Na-2H]- 353.067436 181.3
[M]+ 332.09222142 179.3
[M]- 332.09331858 179.3
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