CID 135398695

Dyspropterin

Structural Information

Molecular Formula
C9H11N5O3
SMILES
CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(=N2)N
InChI
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)
InChIKey
WBJZXBUVECZHCE-UHFFFAOYSA-N
Compound name
1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)propane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

259
References

614
Patents

237.08618 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 153.4
[M+Na]+ 260.07540 161.1
[M-H]- 236.07890 148.4
[M+NH4]+ 255.12000 164.0
[M+K]+ 276.04934 156.0
[M+H-H2O]+ 220.08344 145.6
[M+HCOO]- 282.08438 164.7
[M+CH3COO]- 296.10003 187.8
[M+Na-2H]- 258.06085 156.5
[M]+ 237.08563 146.4
[M]- 237.08673 146.4
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.