CID 10882795

2h-imidazo[1,5,4-ef]-1,2,5-benzothiadiazepine-6(7h)-one, 9-chloro-3,4-dihydro-3-methyl-2-(3-methyl-2-butenyl)-, 1,1-dioxide

Structural Information

Molecular Formula
C15H18ClN3O3S
SMILES
CC1CN2C3=C(C=C(C=C3S(=O)(=O)N1CC=C(C)C)Cl)NC2=O
InChI
InChI=1S/C15H18ClN3O3S/c1-9(2)4-5-19-10(3)8-18-14-12(17-15(18)20)6-11(16)7-13(14)23(19,21)22/h4,6-7,10H,5,8H2,1-3H3,(H,17,20)
InChIKey
GQVZAQPXCUCKBI-UHFFFAOYSA-N
Compound name
6-chloro-11-methyl-10-(3-methylbut-2-enyl)-9,9-dioxo-9lambda6-thia-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.07574 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08302 177.0
[M+Na]+ 378.06496 189.5
[M-H]- 354.06846 179.2
[M+NH4]+ 373.10956 193.0
[M+K]+ 394.03890 186.6
[M+H-H2O]+ 338.07300 170.6
[M+HCOO]- 400.07394 184.0
[M+CH3COO]- 414.08959 187.5
[M+Na-2H]- 376.05041 177.5
[M]+ 355.07519 181.7
[M]- 355.07629 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.