CID 121134

1603-33-4

Structural Information

Molecular Formula
C14H19N3O4
SMILES
C1COCCN1CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H19N3O4/c18-14(12-2-4-13(5-3-12)17(19)20)15-6-1-7-16-8-10-21-11-9-16/h2-5H,1,6-11H2,(H,15,18)
InChIKey
ZEWOVHOFRWMQPJ-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

293.13754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 166.8
[M+Na]+ 316.12676 168.6
[M-H]- 292.13026 171.4
[M+NH4]+ 311.17136 177.4
[M+K]+ 332.10070 163.3
[M+H-H2O]+ 276.13480 162.0
[M+HCOO]- 338.13574 186.3
[M+CH3COO]- 352.15139 196.7
[M+Na-2H]- 314.11221 172.8
[M]+ 293.13699 162.5
[M]- 293.13809 162.5
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

No patent data available for this compound.