CID 104475

Pyridinium, 3-(aminocarbonyl)-1-(4-morpholinylcarbonyl)-, chloride

Structural Information

Molecular Formula
C11H14N3O3
SMILES
C1COCCN1C(=O)[N+]2=CC=CC(=C2)C(=O)N
InChI
InChI=1S/C11H13N3O3/c12-10(15)9-2-1-3-14(8-9)11(16)13-4-6-17-7-5-13/h1-3,8H,4-7H2,(H-,12,15)/p+1
InChIKey
DIVBAJRWZLFJPP-UHFFFAOYSA-O
Compound name
1-(morpholine-4-carbonyl)pyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.10352 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11080 153.1
[M+Na]+ 259.09274 157.8
[M-H]- 235.09624 156.9
[M+NH4]+ 254.13734 165.2
[M+K]+ 275.06668 151.3
[M+H-H2O]+ 219.10078 146.8
[M+HCOO]- 281.10172 169.7
[M+CH3COO]- 295.11737 182.7
[M+Na-2H]- 257.07819 159.4
[M]+ 236.10297 147.3
[M]- 236.10407 147.3
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

patents stripe