CID 472226

Chembl63670

Structural Information

Molecular Formula
C12H23N4O5P
SMILES
CC(C)OP(=O)(COCCN1C(=O)N=C(C=N1)N)OC(C)C
InChI
InChI=1S/C12H23N4O5P/c1-9(2)20-22(18,21-10(3)4)8-19-6-5-16-12(17)15-11(13)7-14-16/h7,9-10H,5-6,8H2,1-4H3,(H2,13,15,17)
InChIKey
GGODGXPSEUYWPG-UHFFFAOYSA-N
Compound name
5-amino-2-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.1406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14788 177.2
[M+Na]+ 357.12982 183.0
[M-H]- 333.13332 175.2
[M+NH4]+ 352.17442 186.8
[M+K]+ 373.10376 182.9
[M+H-H2O]+ 317.13786 165.9
[M+HCOO]- 379.13880 199.9
[M+CH3COO]- 393.15445 213.1
[M+Na-2H]- 355.11527 177.0
[M]+ 334.14005 183.5
[M]- 334.14115 183.5
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

No patent data available for this compound.