CID 3073815

Bis(2-(dimethoxyphosphinyl)ethyl) n-acetyl-dl-glutamate

Structural Information

Molecular Formula
C15H29NO11P2
SMILES
CC(=O)N[C@@H](CCC(=O)OCCP(=O)(OC)OC)C(=O)OCCP(=O)(OC)OC
InChI
InChI=1S/C15H29NO11P2/c1-12(17)16-13(15(19)27-9-11-29(21,24-4)25-5)6-7-14(18)26-8-10-28(20,22-2)23-3/h13H,6-11H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKey
OPIRRFXIFXCMMM-ZDUSSCGKSA-N
Compound name
bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.12158 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.12886 215.8
[M+Na]+ 484.11080 222.4
[M-H]- 460.11430 222.7
[M+NH4]+ 479.15540 229.9
[M+K]+ 500.08474 214.5
[M+H-H2O]+ 444.11884 202.6
[M+HCOO]- 506.11978 227.0
[M+CH3COO]- 520.13543 233.0
[M+Na-2H]- 482.09625 203.0
[M]+ 461.12103 215.7
[M]- 461.12213 215.7
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.