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 183.6
[M+Na]+ 388.15664 191.1
[M-H]- 364.16014 187.0
[M+NH4]+ 383.20124 196.0
[M+K]+ 404.13058 183.3
[M+H-H2O]+ 348.16468 173.2
[M+HCOO]- 410.16562 194.5
[M+CH3COO]- 424.18127 191.8
[M+Na-2H]- 386.14209 189.7
[M]+ 365.16687 181.8
[M]- 365.16797 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.