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]+ 345.15575 179.2
[M+Na]+ 367.13769 181.9
[M-H]- 343.14119 181.7
[M+NH4]+ 362.18229 187.6
[M+K]+ 383.11163 179.4
[M+H-H2O]+ 327.14573 168.2
[M+HCOO]- 389.14667 199.5
[M+CH3COO]- 403.16232 213.8
[M+Na-2H]- 365.12314 182.7
[M]+ 344.14792 180.0
[M]- 344.14902 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.