CID 121126

Morpholinium, 4-methyl-4-(2-(p-nitrobenzamido)ethyl)-, bromide

Structural Information

Molecular Formula
C14H20N3O4
SMILES
C[N+]1(CCOCC1)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H19N3O4/c1-17(8-10-21-11-9-17)7-6-15-14(18)12-2-4-13(5-3-12)16(19)20/h2-5H,6-11H2,1H3/p+1
InChIKey
DUHSYQHMCPIIMP-UHFFFAOYSA-O
Compound name
N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1454 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15268 166.5
[M+Na]+ 317.13462 169.0
[M-H]- 293.13812 171.5
[M+NH4]+ 312.17922 178.8
[M+K]+ 333.10856 158.3
[M+H-H2O]+ 277.14266 165.3
[M+HCOO]- 339.14360 185.1
[M+CH3COO]- 353.15925 189.6
[M+Na-2H]- 315.12007 175.8
[M]+ 294.14485 160.8
[M]- 294.14595 160.8
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.