CID 210725

Brn 0550942

Structural Information

Molecular Formula
C13H13N5S
SMILES
CC1=C2C(=NC(=N1)N)SCC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H13N5S/c1-7-11-12(18-13(15)16-7)19-6-10(17-11)8-2-4-9(14)5-3-8/h2-5H,6,14H2,1H3,(H2,15,16,18)
InChIKey
RCSODCJDHVAURU-UHFFFAOYSA-N
Compound name
6-(4-aminophenyl)-4-methyl-7H-pyrimido[4,5-b][1,4]thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08917 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09645 158.2
[M+Na]+ 294.07839 172.6
[M+NH4]+ 289.12299 166.7
[M+K]+ 310.05233 163.6
[M-H]- 270.08189 163.4
[M+Na-2H]- 292.06384 166.3
[M]+ 271.08862 162.2
[M]- 271.08972 162.2
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.