CID 16572

N-(2-(diethylamino)ethyl)-p-nitrobenzamide hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

265.14264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 161.1
[M+Na]+ 288.13186 164.8
[M-H]- 264.13536 165.5
[M+NH4]+ 283.17646 176.7
[M+K]+ 304.10580 160.0
[M+H-H2O]+ 248.13990 158.0
[M+HCOO]- 310.14084 187.4
[M+CH3COO]- 324.15649 200.1
[M+Na-2H]- 286.11731 166.1
[M]+ 265.14209 161.3
[M]- 265.14319 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

literature stripe

Patent stripe

patents stripe