CID 101298

Sri 1454

Structural Information

Molecular Formula
C6H7N5O4
SMILES
CN(C(=O)NC1=CNC(=O)NC1=O)N=O
InChI
InChI=1S/C6H7N5O4/c1-11(10-15)6(14)8-3-2-7-5(13)9-4(3)12/h2H,1H3,(H,8,14)(H2,7,9,12,13)
InChIKey
ZLMJEQGWFPWXSL-UHFFFAOYSA-N
Compound name
3-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0498 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05708 139.3
[M+Na]+ 236.03902 147.6
[M-H]- 212.04252 141.4
[M+NH4]+ 231.08362 154.2
[M+K]+ 252.01296 146.7
[M+H-H2O]+ 196.04706 131.1
[M+HCOO]- 258.04800 164.9
[M+CH3COO]- 272.06365 191.1
[M+Na-2H]- 234.02447 146.5
[M]+ 213.04925 139.0
[M]- 213.05035 139.0
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.