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]+ 342.18123 181.9
[M+Na]+ 364.16317 183.5
[M-H]- 340.16667 188.7
[M+NH4]+ 359.20777 193.5
[M+K]+ 380.13711 177.3
[M+H-H2O]+ 324.17121 176.9
[M+HCOO]- 386.17215 206.4
[M+CH3COO]- 400.18780 214.6
[M+Na-2H]- 362.14862 185.3
[M]+ 341.17340 180.9
[M]- 341.17450 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.