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]+ 238.093456 153.4
[M+Na]+ 260.075398 161.1
[M-H]- 236.078904 148.4
[M+NH4]+ 255.120003 164.0
[M+K]+ 276.049338 156.0
[M+H-H2O]+ 220.083440 145.6
[M+HCOO]- 282.084381 164.7
[M+CH3COO]- 296.100031 187.8
[M+Na-2H]- 258.060846 156.5
[M]+ 237.08563142 146.4
[M]- 237.08672858 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

literature stripe

Patent stripe

patents stripe