CID 135959515

6h-pyrimido(4,5-b)(1,4)benzothiazin-9-amine, 7,8-dihydro-n-butyl-7,7-dimethyl-4-methoxy-, monohydrobromide

Structural Information

Molecular Formula
C17H24N4OS
SMILES
CCCCN=C1CC(CC2=C1SC3=NC=NC(=C3N2)OC)(C)C
InChI
InChI=1S/C17H24N4OS/c1-5-6-7-18-11-8-17(2,3)9-12-14(11)23-16-13(21-12)15(22-4)19-10-20-16/h10,21H,5-9H2,1-4H3
InChIKey
IXVOLVYEPVKIRM-UHFFFAOYSA-N
Compound name
N-butyl-4-methoxy-7,7-dimethyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.16708 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17436 179.2
[M+Na]+ 355.15630 191.4
[M+NH4]+ 350.20090 188.4
[M+K]+ 371.13024 179.6
[M-H]- 331.15980 181.4
[M+Na-2H]- 353.14175 184.1
[M]+ 332.16653 182.2
[M]- 332.16763 182.2
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.