CID 97288

16757-58-7

Structural Information

Molecular Formula
C7H16N5O7P
SMILES
CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC
InChI
InChI=1S/C7H16N5O7P/c1-4-19-7(15)12-20(16,10-5(13)8-17-2)11-6(14)9-18-3/h4H2,1-3H3,(H5,8,9,10,11,12,13,14,15,16)
InChIKey
JZCDZAAHUBCNHW-UHFFFAOYSA-N
Compound name
ethyl N-bis(methoxycarbamoylamino)phosphorylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.07874 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08602 160.5
[M+Na]+ 336.06796 162.5
[M-H]- 312.07146 159.5
[M+NH4]+ 331.11256 193.8
[M+K]+ 352.04190 166.0
[M+H-H2O]+ 296.07600 150.5
[M+HCOO]- 358.07694 197.4
[M+CH3COO]- 372.09259 213.7
[M+Na-2H]- 334.05341 163.6
[M]+ 313.07819 163.3
[M]- 313.07929 163.3
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.