CID 135463968

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

Structural Information

Molecular Formula
C20H23N5S
SMILES
CC1(CC2=C(C(=NCC3=CC=CC=C3)C1)SC4=NC=NC(=C4N2)NC)C
InChI
InChI=1S/C20H23N5S/c1-20(2)9-14(22-11-13-7-5-4-6-8-13)17-15(10-20)25-16-18(21-3)23-12-24-19(16)26-17/h4-8,12,25H,9-11H2,1-3H3,(H,21,23,24)
InChIKey
KPAFZENLHRHIPJ-UHFFFAOYSA-N
Compound name
9-benzylimino-N,7,7-trimethyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16742 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17470 184.5
[M+Na]+ 388.15664 198.3
[M+NH4]+ 383.20124 194.4
[M+K]+ 404.13058 185.4
[M-H]- 364.16014 190.1
[M+Na-2H]- 386.14209 193.1
[M]+ 365.16687 188.7
[M]- 365.16797 188.7
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.