CID 120242

Benzanilide, n-(2-morpholinoethyl)-4-nitro-, hydrochloride

Structural Information

Molecular Formula
C19H21N3O4
SMILES
C1COCCN1CCN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O4/c23-19(16-6-8-18(9-7-16)22(24)25)21(17-4-2-1-3-5-17)11-10-20-12-14-26-15-13-20/h1-9H,10-15H2
InChIKey
YHAWVWSVUZGLDB-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.160476 182.9
[M+Na]+ 378.142418 183.4
[M-H]- 354.145924 191.4
[M+NH4]+ 373.187023 190.7
[M+K]+ 394.116358 178.0
[M+H-H2O]+ 338.150460 176.1
[M+HCOO]- 400.151401 202.2
[M+CH3COO]- 414.167051 211.2
[M+Na-2H]- 376.127866 187.9
[M]+ 355.15265142 178.7
[M]- 355.15374858 178.7
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.