CID 2734718

Methyl 2-{[(benzyloxy)carbonyl]amino}-2-(dimethyl phosphono)acetate

Structural Information

Molecular Formula
C13H18NO7P
SMILES
COC(=O)C(NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC
InChI
InChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)
InChIKey
GSYSFVSGPABNNL-UHFFFAOYSA-N
Compound name
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5042
Patents

331.0821 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08938 172.4
[M+Na]+ 354.07132 176.4
[M-H]- 330.07482 174.3
[M+NH4]+ 349.11592 185.8
[M+K]+ 370.04526 177.9
[M+H-H2O]+ 314.07936 162.8
[M+HCOO]- 376.08030 199.3
[M+CH3COO]- 390.09595 208.1
[M+Na-2H]- 352.05677 173.3
[M]+ 331.08155 179.6
[M]- 331.08265 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe