CID 15943

Benzamide, n-(2-(diethylamino)ethyl)-o-nitro-, hydrochloride

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O3/c1-3-15(4-2)10-9-14-13(17)11-7-5-6-8-12(11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,14,17)
InChIKey
KMRSAVQVMHWQBJ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.149916 161.1
[M+Na]+ 288.131858 164.8
[M-H]- 264.135364 165.5
[M+NH4]+ 283.176463 176.7
[M+K]+ 304.105798 160.0
[M+H-H2O]+ 248.139900 158.0
[M+HCOO]- 310.140841 187.4
[M+CH3COO]- 324.156491 200.1
[M+Na-2H]- 286.117306 166.1
[M]+ 265.14209142 161.3
[M]- 265.14318858 161.3
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

No patent data available for this compound.