CID 3721217

2-chloro-n-isopropyl-4-nitro-n-phenylbenzamide

Structural Information

Molecular Formula
C16H15ClN2O3
SMILES
CC(C)N(C1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H15ClN2O3/c1-11(2)18(12-6-4-3-5-7-12)16(20)14-9-8-13(19(21)22)10-15(14)17/h3-11H,1-2H3
InChIKey
WUZDYHRFRRQIAK-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-N-phenyl-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07712 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08440 171.7
[M+Na]+ 341.06634 177.1
[M-H]- 317.06984 179.3
[M+NH4]+ 336.11094 185.9
[M+K]+ 357.04028 169.9
[M+H-H2O]+ 301.07438 169.0
[M+HCOO]- 363.07532 191.8
[M+CH3COO]- 377.09097 205.6
[M+Na-2H]- 339.05179 174.9
[M]+ 318.07657 173.4
[M]- 318.07767 173.4
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.