CID 121124

Morpholinium, 4-methyl-4-(3-(p-nitrobenzamido)propyl)-, bromide

Structural Information

Molecular Formula
C15H22N3O4
SMILES
C[N+]1(CCOCC1)CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H21N3O4/c1-18(9-11-22-12-10-18)8-2-7-16-15(19)13-3-5-14(6-4-13)17(20)21/h3-6H,2,7-12H2,1H3/p+1
InChIKey
XIRHAXSAIKKNTI-UHFFFAOYSA-O
Compound name
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16832 171.2
[M+Na]+ 331.15026 173.2
[M-H]- 307.15376 175.9
[M+NH4]+ 326.19486 183.0
[M+K]+ 347.12420 162.3
[M+H-H2O]+ 291.15830 169.8
[M+HCOO]- 353.15924 189.5
[M+CH3COO]- 367.17489 192.6
[M+Na-2H]- 329.13571 180.0
[M]+ 308.16049 165.8
[M]- 308.16159 165.8
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.