CID 487221

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

Structural Information

Molecular Formula
C17H20N4O4
SMILES
C1=CC(=CN=C1)C(=O)ON[C@@H](CCCCN)C(=O)OC2=CN=CC=C2
InChI
InChI=1S/C17H20N4O4/c18-8-2-1-7-15(17(23)24-14-6-4-10-20-12-14)21-25-16(22)13-5-3-9-19-11-13/h3-6,9-12,15,21H,1-2,7-8,18H2/t15-/m0/s1
InChIKey
FBWHWICPPVIGST-HNNXBMFYSA-N
Compound name
[[(2S)-6-amino-1-oxo-1-pyridin-3-yloxyhexan-2-yl]amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 179.2
[M+Na]+ 367.137688 181.9
[M-H]- 343.141194 181.7
[M+NH4]+ 362.182293 187.6
[M+K]+ 383.111628 179.4
[M+H-H2O]+ 327.145730 168.2
[M+HCOO]- 389.146671 199.5
[M+CH3COO]- 403.162321 213.8
[M+Na-2H]- 365.123136 182.7
[M]+ 344.14792142 180.0
[M]- 344.14901858 180.0
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.