CID 11068333

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

Structural Information

Molecular Formula
C15H22NO7P
SMILES
CCOP(=O)(C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)OCC
InChI
InChI=1S/C15H22NO7P/c1-4-22-24(19,23-5-2)13(14(17)20-3)16-15(18)21-11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,16,18)
InChIKey
KREPFQCNXAYHAW-UHFFFAOYSA-N
Compound name
methyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

359.1134 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12068 181.9
[M+Na]+ 382.10262 185.1
[M-H]- 358.10612 183.5
[M+NH4]+ 377.14722 194.2
[M+K]+ 398.07656 186.2
[M+H-H2O]+ 342.11066 171.9
[M+HCOO]- 404.11160 208.1
[M+CH3COO]- 418.12725 214.0
[M+Na-2H]- 380.08807 181.8
[M]+ 359.11285 189.8
[M]- 359.11395 189.8
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