CID 1383372

6h-pyrimido(4,5-b)(1,4)benzothiazine-4,9-diamine, 7,8-dihydro-7,7-dimethyl-, monohydrobromide

Structural Information

Molecular Formula
C12H15N5S
SMILES
CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N)C1)N)C
InChI
InChI=1S/C12H15N5S/c1-12(2)3-6(13)9-7(4-12)17-8-10(14)15-5-16-11(8)18-9/h5H,3-4,13H2,1-2H3,(H2,14,15,16)
InChIKey
NHBBTWURTZTMBS-UHFFFAOYSA-N
Compound name
7,7-dimethyl-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

261.10483 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11211 155.8
[M+Na]+ 284.09405 166.3
[M-H]- 260.09755 156.5
[M+NH4]+ 279.13865 172.8
[M+K]+ 300.06799 160.5
[M+H-H2O]+ 244.10209 148.3
[M+HCOO]- 306.10303 168.0
[M+CH3COO]- 320.11868 166.6
[M+Na-2H]- 282.07950 162.1
[M]+ 261.10428 154.3
[M]- 261.10538 154.3
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.