CID 487220

L-ornithine, n2-[(3-pyridinylcarbonyl)oxy]-, 3-pyridinyl ester

Structural Information

Molecular Formula
C16H18N4O4
SMILES
C1=CC(=CN=C1)C(=O)ON[C@@H](CCCN)C(=O)OC2=CN=CC=C2
InChI
InChI=1S/C16H18N4O4/c17-7-1-6-14(16(22)23-13-5-3-9-19-11-13)20-24-15(21)12-4-2-8-18-10-12/h2-5,8-11,14,20H,1,6-7,17H2/t14-/m0/s1
InChIKey
DOEZHIXEZKRJRW-AWEZNQCLSA-N
Compound name
[[(2S)-5-amino-1-oxo-1-pyridin-3-yloxypentan-2-yl]amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1328 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 174.8
[M+Na]+ 353.12202 178.0
[M-H]- 329.12552 177.6
[M+NH4]+ 348.16662 183.8
[M+K]+ 369.09596 175.7
[M+H-H2O]+ 313.13006 164.1
[M+HCOO]- 375.13100 195.5
[M+CH3COO]- 389.14665 210.9
[M+Na-2H]- 351.10747 178.8
[M]+ 330.13225 175.3
[M]- 330.13335 175.3
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.