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]+ 262.112106 155.8
[M+Na]+ 284.094048 166.3
[M-H]- 260.097554 156.5
[M+NH4]+ 279.138653 172.8
[M+K]+ 300.067988 160.5
[M+H-H2O]+ 244.102090 148.3
[M+HCOO]- 306.103031 168.0
[M+CH3COO]- 320.118681 166.6
[M+Na-2H]- 282.079496 162.1
[M]+ 261.10428142 154.3
[M]- 261.10537858 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.