CID 120245

Hc 5515

Structural Information

Molecular Formula
C20H23N3O4
SMILES
C1COCCN1CCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H23N3O4/c24-20(18-6-8-19(9-7-18)23(25)26)22(16-17-4-2-1-3-5-17)11-10-21-12-14-27-15-13-21/h1-9H,10-16H2
InChIKey
JDBPJXUBHWFREQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16885 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 187.6
[M+Na]+ 392.15807 187.7
[M-H]- 368.16157 195.9
[M+NH4]+ 387.20267 194.8
[M+K]+ 408.13201 182.0
[M+H-H2O]+ 352.16611 180.5
[M+HCOO]- 414.16705 206.5
[M+CH3COO]- 428.18270 214.1
[M+Na-2H]- 390.14352 192.0
[M]+ 369.16830 183.6
[M]- 369.16940 183.6
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.