CID 13117211

79099-04-0

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
C1CN(CCC1N2CC3=CC=CC=C3NS2(=O)=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H23N3O2S/c23-25(24)20-19-9-5-4-8-17(19)15-22(25)18-10-12-21(13-11-18)14-16-6-2-1-3-7-16/h1-9,18,20H,10-15H2
InChIKey
YMKZXPLZBCTKJE-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)-1,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

357.1511 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 183.3
[M+Na]+ 380.14032 189.3
[M-H]- 356.14382 187.0
[M+NH4]+ 375.18492 193.9
[M+K]+ 396.11426 182.1
[M+H-H2O]+ 340.14836 172.6
[M+HCOO]- 402.14930 190.4
[M+CH3COO]- 416.16495 190.7
[M+Na-2H]- 378.12577 185.6
[M]+ 357.15055 178.1
[M]- 357.15165 178.1
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

patents stripe