CID 135463976

6h-pyrimido(4,5-b)(1,4)benzothiazine, 7,8-dihydro-9-(3,4-dimethoxyphenethylamino)-7,7-dimethyl-4-methoxy-, hydrobromide, hydrate

Structural Information

Molecular Formula
C23H28N4O3S
SMILES
CC1(CC2=C(C(=NCCC3=CC(=C(C=C3)OC)OC)C1)SC4=NC=NC(=C4N2)OC)C
InChI
InChI=1S/C23H28N4O3S/c1-23(2)11-15(24-9-8-14-6-7-17(28-3)18(10-14)29-4)20-16(12-23)27-19-21(30-5)25-13-26-22(19)31-20/h6-7,10,13,27H,8-9,11-12H2,1-5H3
InChIKey
BXYSDZYCOGYDFA-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

440.1882 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19548 206.2
[M+Na]+ 463.17742 219.9
[M+NH4]+ 458.22202 214.4
[M+K]+ 479.15136 207.7
[M-H]- 439.18092 210.2
[M+Na-2H]- 461.16287 212.5
[M]+ 440.18765 210.0
[M]- 440.18875 210.0
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.