CID 5062376

O-(1,2-dihydro-2-oxo-1-pyridyl)-n,n,n',n'-bis(tetramethylene)uronium hexafluorophosphate

Structural Information

Molecular Formula
C14H20N3O2
SMILES
C1CCN(C1)C(=[N+]2CCCC2)ON3C=CC=CC3=O
InChI
InChI=1S/C14H20N3O2/c18-13-7-1-2-12-17(13)19-14(15-8-3-4-9-15)16-10-5-6-11-16/h1-2,7,12H,3-6,8-11H2/q+1
InChIKey
RQVGUEISFIVEBY-UHFFFAOYSA-N
Compound name
1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

262.15555 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16283 163.8
[M+Na]+ 285.14477 168.2
[M-H]- 261.14827 169.2
[M+NH4]+ 280.18937 178.7
[M+K]+ 301.11871 160.0
[M+H-H2O]+ 245.15281 156.4
[M+HCOO]- 307.15375 180.8
[M+CH3COO]- 321.16940 183.3
[M+Na-2H]- 283.13022 165.0
[M]+ 262.15500 157.3
[M]- 262.15610 157.3
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

patents stripe