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]+ 333.10005 177.6
[M+Na]+ 355.08199 183.5
[M-H]- 331.08549 183.8
[M+NH4]+ 350.12659 191.0
[M+K]+ 371.05593 174.2
[M+H-H2O]+ 315.09003 174.8
[M+HCOO]- 377.09097 197.7
[M+CH3COO]- 391.10662 205.6
[M+Na-2H]- 353.06744 181.3
[M]+ 332.09222 179.3
[M]- 332.09332 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