CID 201976

Benzanilide, n-(2-(diethylamino)ethyl)-4-nitro-, hydrochloride

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCN(CC)CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H23N3O3/c1-3-20(4-2)14-15-21(17-8-6-5-7-9-17)19(23)16-10-12-18(13-11-16)22(24)25/h5-13H,3-4,14-15H2,1-2H3
InChIKey
MNWFUMNDDVZFGC-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 182.7
[M+Na]+ 364.16317 184.7
[M-H]- 340.16667 190.9
[M+NH4]+ 359.20777 195.0
[M+K]+ 380.13711 179.3
[M+H-H2O]+ 324.17121 177.3
[M+HCOO]- 386.17215 208.6
[M+CH3COO]- 400.18780 217.3
[M+Na-2H]- 362.14862 186.4
[M]+ 341.17340 183.5
[M]- 341.17450 183.5
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.