CID 3048692

1h-pyrido(3,2-b)pyrimido(4,5-e)(1,4)thiazin-4(10h)-one, 2-amino-8-methyl-

Structural Information

Molecular Formula
C10H9N5OS
SMILES
CC1=NC2=C(C=C1)SC3=C(NC(=O)N=C3N2)N
InChI
InChI=1S/C10H9N5OS/c1-4-2-3-5-8(12-4)14-9-6(17-5)7(11)13-10(16)15-9/h2-3H,1H3,(H4,11,12,13,14,15,16)
InChIKey
OUBIXKHZYMCCLO-UHFFFAOYSA-N
Compound name
7-amino-13-methyl-9-thia-2,4,6,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,7,11,13-pentaen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05278 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06006 151.7
[M+Na]+ 270.04200 163.3
[M-H]- 246.04550 149.5
[M+NH4]+ 265.08660 165.0
[M+K]+ 286.01594 155.7
[M+H-H2O]+ 230.05004 144.5
[M+HCOO]- 292.05098 161.7
[M+CH3COO]- 306.06663 161.9
[M+Na-2H]- 268.02745 158.1
[M]+ 247.05223 149.8
[M]- 247.05333 149.8
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.