CID 71591319

Propyl (2s)-2-[2,2-dichloro-3-[(1s)-1-methyl-2-oxo-2-propoxy-ethyl]-1,3-diaza-2$l^{4}-palladacyclopent-1-yl]propanoate

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CCCOC(=O)[C@H](C)NCCN[C@@H](C)C(=O)OCCC
InChI
InChI=1S/C14H28N2O4/c1-5-9-19-13(17)11(3)15-7-8-16-12(4)14(18)20-10-6-2/h11-12,15-16H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKey
WTGQCOPLGUXQCH-RYUDHWBXSA-N
Compound name
propyl (2S)-2-[2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]ethylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.2049 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 174.1
[M+Na]+ 311.19412 175.8
[M-H]- 287.19762 173.1
[M+NH4]+ 306.23872 188.8
[M+K]+ 327.16806 176.3
[M+H-H2O]+ 271.20216 166.9
[M+HCOO]- 333.20310 194.7
[M+CH3COO]- 347.21875 209.5
[M+Na-2H]- 309.17957 172.4
[M]+ 288.20435 178.3
[M]- 288.20545 178.3
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.