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]+ 290.143376 164.1
[M+Na]+ 312.125318 173.6
[M-H]- 288.128824 166.3
[M+NH4]+ 307.169923 180.8
[M+K]+ 328.099258 169.2
[M+H-H2O]+ 272.133360 155.8
[M+HCOO]- 334.134301 176.6
[M+CH3COO]- 348.149951 174.8
[M+Na-2H]- 310.110766 169.7
[M]+ 289.13555142 165.3
[M]- 289.13664858 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.