CID 375734

Nsc655743

Structural Information

Molecular Formula
C10H13N5O3
SMILES
CN1C2=NC=C(N=C2C(=O)N(C1=O)C)NCCO
InChI
InChI=1S/C10H13N5O3/c1-14-8-7(9(17)15(2)10(14)18)13-6(5-12-8)11-3-4-16/h5,16H,3-4H2,1-2H3,(H,11,13)
InChIKey
VZTKOMDHUMKXIF-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethylamino)-1,3-dimethylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10184 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 156.7
[M+Na]+ 274.09106 168.8
[M-H]- 250.09456 155.9
[M+NH4]+ 269.13566 169.3
[M+K]+ 290.06500 164.3
[M+H-H2O]+ 234.09910 148.0
[M+HCOO]- 296.10004 175.7
[M+CH3COO]- 310.11569 196.4
[M+Na-2H]- 272.07651 163.7
[M]+ 251.10129 160.0
[M]- 251.10239 160.0
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.