CID 45051529

N-(3-chlorophenyl)-n-(2-(dimethylamino)ethyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C17H18ClN3O3
SMILES
CN(C)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H18ClN3O3/c1-19(2)10-11-20(16-5-3-4-14(18)12-16)17(22)13-6-8-15(9-7-13)21(23)24/h3-9,12H,10-11H2,1-2H3
InChIKey
OXZWFOOCQQPOBR-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10367 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.110946 181.1
[M+Na]+ 370.092888 185.4
[M-H]- 346.096394 189.7
[M+NH4]+ 365.137493 194.3
[M+K]+ 386.066828 178.9
[M+H-H2O]+ 330.100930 177.3
[M+HCOO]- 392.101871 203.2
[M+CH3COO]- 406.117521 216.0
[M+Na-2H]- 368.078336 184.5
[M]+ 347.10312142 184.1
[M]- 347.10421858 184.1
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.