CID 97287

Nsc112135

Structural Information

Molecular Formula
C9H19N6O8P
SMILES
CCOC(=O)NNC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC
InChI
InChI=1S/C9H19N6O8P/c1-4-22-8(18)11-10-6(16)13-24(20,14-7(17)12-21-3)15-9(19)23-5-2/h4-5H2,1-3H3,(H,11,18)(H5,10,12,13,14,15,16,17,19,20)
InChIKey
AWIJASSTGJLNDU-UHFFFAOYSA-N
Compound name
ethyl N-[[(ethoxycarbonylamino)carbamoylamino]-(methoxycarbamoylamino)phosphoryl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1002 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10748 199.4
[M+Na]+ 393.08942 214.7
[M-H]- 369.09292 215.7
[M+NH4]+ 388.13402 205.1
[M+K]+ 409.06336 198.8
[M+H-H2O]+ 353.09746 161.2
[M+HCOO]- 415.09840 203.1
[M+CH3COO]- 429.11405 225.9
[M+Na-2H]- 391.07487 191.5
[M]+ 370.09965 185.7
[M]- 370.10075 185.7
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.