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]+ 366.174696 183.6
[M+Na]+ 388.156638 191.1
[M-H]- 364.160144 187.0
[M+NH4]+ 383.201243 196.0
[M+K]+ 404.130578 183.3
[M+H-H2O]+ 348.164680 173.2
[M+HCOO]- 410.165621 194.5
[M+CH3COO]- 424.181271 191.8
[M+Na-2H]- 386.142086 189.7
[M]+ 365.16687142 181.8
[M]- 365.16796858 181.8
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.