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]+ 342.181226 182.7
[M+Na]+ 364.163168 184.7
[M-H]- 340.166674 190.9
[M+NH4]+ 359.207773 195.0
[M+K]+ 380.137108 179.3
[M+H-H2O]+ 324.171210 177.3
[M+HCOO]- 386.172151 208.6
[M+CH3COO]- 400.187801 217.3
[M+Na-2H]- 362.148616 186.4
[M]+ 341.17340142 183.5
[M]- 341.17449858 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.