CID 16074429

1,2,5-benzothiadiazepin-4(5h)-one, 8-chloro-3-methyl-2-cyclopropylmethyl-2,3-dihydro-, 1,1-dioxide

Structural Information

Molecular Formula
C13H15ClN2O3S
SMILES
CC1C(=O)NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1CC3CC3
InChI
InChI=1S/C13H15ClN2O3S/c1-8-13(17)15-11-5-4-10(14)6-12(11)20(18,19)16(8)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,17)
InChIKey
FGUJDCOSWNUGRI-UHFFFAOYSA-N
Compound name
8-chloro-2-(cyclopropylmethyl)-3-methyl-1,1-dioxo-3,5-dihydro-1lambda6,2,5-benzothiadiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0492 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05648 163.0
[M+Na]+ 337.03842 173.0
[M-H]- 313.04192 167.9
[M+NH4]+ 332.08302 173.4
[M+K]+ 353.01236 171.4
[M+H-H2O]+ 297.04646 156.3
[M+HCOO]- 359.04740 170.5
[M+CH3COO]- 373.06305 172.9
[M+Na-2H]- 335.02387 164.4
[M]+ 314.04865 165.2
[M]- 314.04975 165.2
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.