CID 135444420

Nsc637526

Structural Information

Molecular Formula
C6H9N5O3
SMILES
C(CO)NC1=C(C(=O)NC(=N1)N)N=O
InChI
InChI=1S/C6H9N5O3/c7-6-9-4(8-1-2-12)3(11-14)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13)
InChIKey
OBVKXGQBGZSZLF-UHFFFAOYSA-N
Compound name
2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07054 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07782 138.3
[M+Na]+ 222.05976 147.1
[M-H]- 198.06326 138.6
[M+NH4]+ 217.10436 153.3
[M+K]+ 238.03370 144.6
[M+H-H2O]+ 182.06780 130.5
[M+HCOO]- 244.06874 163.1
[M+CH3COO]- 258.08439 188.3
[M+Na-2H]- 220.04521 145.5
[M]+ 199.06999 137.0
[M]- 199.07109 137.0
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.