CID 210726

Brn 0550791

Structural Information

Molecular Formula
C13H12N4OS
SMILES
COC1=C2C(=NC=N1)SCC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H12N4OS/c1-18-12-11-13(16-7-15-12)19-6-10(17-11)8-2-4-9(14)5-3-8/h2-5,7H,6,14H2,1H3
InChIKey
UGKYXFOXLXEOTE-UHFFFAOYSA-N
Compound name
4-(4-methoxy-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07318 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08046 158.0
[M+Na]+ 295.06240 173.2
[M+NH4]+ 290.10700 166.7
[M+K]+ 311.03634 163.8
[M-H]- 271.06590 162.6
[M+Na-2H]- 293.04785 166.7
[M]+ 272.07263 162.0
[M]- 272.07373 162.0
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.