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 158.6
[M+Na]+ 295.06240 168.5
[M-H]- 271.06590 162.1
[M+NH4]+ 290.10700 172.1
[M+K]+ 311.03634 162.6
[M+H-H2O]+ 255.07044 149.5
[M+HCOO]- 317.07138 173.4
[M+CH3COO]- 331.08703 169.7
[M+Na-2H]- 293.04785 164.3
[M]+ 272.07263 159.4
[M]- 272.07373 159.4
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.