CID 6334917

(6-amino-5-nitropyrimidin-4-yl)(2-((hydrohydroxyphosphoryl)methoxy)prop-2-enyl)amine

Structural Information

Molecular Formula
C8H11N5O5P
SMILES
C=C(CNC1=NC=NC(=C1[N+](=O)[O-])N)OC[P+](=O)O
InChI
InChI=1S/C8H10N5O5P/c1-5(18-4-19(16)17)2-10-8-6(13(14)15)7(9)11-3-12-8/h3H,1-2,4H2,(H3-,9,10,11,12,16,17)/p+1
InChIKey
RCAMIVADYACHJV-UHFFFAOYSA-O
Compound name
3-[(6-amino-5-nitropyrimidin-4-yl)amino]prop-1-en-2-yloxymethyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04977 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05705 153.8
[M+Na]+ 311.03899 158.2
[M-H]- 287.04249 152.8
[M+NH4]+ 306.08359 164.1
[M+K]+ 327.01293 147.4
[M+H-H2O]+ 271.04703 150.7
[M+HCOO]- 333.04797 180.4
[M+CH3COO]- 347.06362 189.4
[M+Na-2H]- 309.02444 160.7
[M]+ 288.04922 150.3
[M]- 288.05032 150.3
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.