CID 165730379

En300-6734719

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN2C=CC(=CC2=O)C(=O)O
InChI
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)17-8-10(9-17)7-16-5-4-11(13(19)20)6-12(16)18/h4-6,10H,7-9H2,1-3H3,(H,19,20)
InChIKey
JEJSHYVAWZICRS-UHFFFAOYSA-N
Compound name
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.5
[M+Na]+ 331.12642 176.6
[M-H]- 307.12992 174.0
[M+NH4]+ 326.17102 176.5
[M+K]+ 347.10036 178.2
[M+H-H2O]+ 291.13446 158.1
[M+HCOO]- 353.13540 185.9
[M+CH3COO]- 367.15105 204.8
[M+Na-2H]- 329.11187 171.9
[M]+ 308.13665 182.3
[M]- 308.13775 182.3
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

No patent data available for this compound.