CID 54605

N-(alpha-(3-(dimethylamino)propyl)benzyl)-m-nitro-benzamide hydrochloride

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CN(C)CCCC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H23N3O3/c1-21(2)13-7-12-18(15-8-4-3-5-9-15)20-19(23)16-10-6-11-17(14-16)22(24)25/h3-6,8-11,14,18H,7,12-13H2,1-2H3,(H,20,23)
InChIKey
PZIYHBSJJKEIGO-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)-1-phenylbutyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17395 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.181226 181.9
[M+Na]+ 364.163168 183.5
[M-H]- 340.166674 188.7
[M+NH4]+ 359.207773 193.5
[M+K]+ 380.137108 177.3
[M+H-H2O]+ 324.171210 176.9
[M+HCOO]- 386.172151 206.4
[M+CH3COO]- 400.187801 214.6
[M+Na-2H]- 362.148616 185.3
[M]+ 341.17340142 180.9
[M]- 341.17449858 180.9
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.