CID 3067026

6h-pyrimido(4,5-b)(1,4)benzothiazine, 7,8-dihydro-9-amino-7,7-dimethyl-4-(methylamino)-, hydrobromide

Structural Information

Molecular Formula
C13H17N5S
SMILES
CC1(CC(=C2C(=NC3=C(N=CN=C3S2)NC)C1)N)C
InChI
InChI=1S/C13H17N5S/c1-13(2)4-7(14)10-8(5-13)18-9-11(15-3)16-6-17-12(9)19-10/h6H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKey
IHWKBARWQNXABX-UHFFFAOYSA-N
Compound name
4-N,7,7-trimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12773 160.1
[M+Na]+ 298.10967 173.0
[M+NH4]+ 293.15427 170.2
[M+K]+ 314.08361 162.2
[M-H]- 274.11317 163.4
[M+Na-2H]- 296.09512 166.8
[M]+ 275.11990 163.5
[M]- 275.12100 163.5
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.