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]+ 294.144816 166.8
[M+Na]+ 316.126758 168.6
[M-H]- 292.130264 171.4
[M+NH4]+ 311.171363 177.4
[M+K]+ 332.100698 163.3
[M+H-H2O]+ 276.134800 162.0
[M+HCOO]- 338.135741 186.3
[M+CH3COO]- 352.151391 196.7
[M+Na-2H]- 314.112206 172.8
[M]+ 293.13699142 162.5
[M]- 293.13808858 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.