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 165.4
[M+Na]+ 335.07272 166.7
[M-H]- 311.07622 162.6
[M+NH4]+ 330.11732 198.0
[M+K]+ 351.04666 169.6
[M+H-H2O]+ 295.08076 155.2
[M+HCOO]- 357.08170 199.1
[M+CH3COO]- 371.09735 210.3
[M+Na-2H]- 333.05817 164.4
[M]+ 312.08295 168.2
[M]- 312.08405 168.2
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.