CID 3067020

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

Structural Information

Molecular Formula
C14H19N5S
SMILES
CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)N)C
InChI
InChI=1S/C14H19N5S/c1-14(2)5-8(15)11-9(6-14)18-10-12(19(3)4)16-7-17-13(10)20-11/h7H,5-6,15H2,1-4H3
InChIKey
ATCFNHDTVBIPFS-UHFFFAOYSA-N
Compound name
4-N,4-N,7,7-tetramethyl-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

289.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14338 164.1
[M+Na]+ 312.12532 173.6
[M-H]- 288.12882 166.3
[M+NH4]+ 307.16992 180.8
[M+K]+ 328.09926 169.2
[M+H-H2O]+ 272.13336 155.8
[M+HCOO]- 334.13430 176.6
[M+CH3COO]- 348.14995 174.8
[M+Na-2H]- 310.11077 169.7
[M]+ 289.13555 165.3
[M]- 289.13665 165.3
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.