CID 325532

63012-77-1

Structural Information

Molecular Formula
C10H10N4OS
SMILES
CC1=C(N=C2C(=N1)C(=O)N3CCSC3=N2)C
InChI
InChI=1S/C10H10N4OS/c1-5-6(2)12-8-7(11-5)9(15)14-3-4-16-10(14)13-8/h3-4H2,1-2H3
InChIKey
ONDPRBFCHCGLTO-UHFFFAOYSA-N
Compound name
2,3-dimethyl-7,8-dihydro-[1,3]thiazolo[2,3-b]pteridin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05753 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06481 149.8
[M+Na]+ 257.04675 163.3
[M-H]- 233.05025 151.2
[M+NH4]+ 252.09135 167.7
[M+K]+ 273.02069 158.5
[M+H-H2O]+ 217.05479 142.7
[M+HCOO]- 279.05573 163.4
[M+CH3COO]- 293.07138 162.6
[M+Na-2H]- 255.03220 153.6
[M]+ 234.05698 154.0
[M]- 234.05808 154.0
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.