CID 3032658

Nsc 112134

Structural Information

Molecular Formula
C8H17N4O7P
SMILES
CCOC(=O)NP(NC(=O)NOCO)NC(=O)OCC
InChI
InChI=1S/C8H17N4O7P/c1-3-17-7(15)11-20(12-8(16)18-4-2)10-6(14)9-19-5-13/h13H,3-5H2,1-2H3,(H,11,15)(H,12,16)(H2,9,10,14)
InChIKey
KUFCSEAFKGMCGI-UHFFFAOYSA-N
Compound name
ethyl N-[(ethoxycarbonylamino)-(hydroxymethoxycarbamoylamino)phosphanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0835 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09078 171.2
[M+Na]+ 335.07272 171.2
[M+NH4]+ 330.11732 199.9
[M+K]+ 351.04666 172.5
[M-H]- 311.07622 166.1
[M+Na-2H]- 333.05817 167.6
[M]+ 312.08295 168.3
[M]- 312.08405 168.3
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.