CID 488445

Pyrido[3,2-c][1,2,5]benzothiadiazepine, 7-chloro-11-ethyl-5,11-dihydro-5,8-dimethyl-, 6,6-dioxide

Structural Information

Molecular Formula
C15H16ClN3O2S
SMILES
CCN1C2=C(C(=C(C=C2)C)Cl)S(=O)(=O)N(C3=C1N=CC=C3)C
InChI
InChI=1S/C15H16ClN3O2S/c1-4-19-11-8-7-10(2)13(16)14(11)22(20,21)18(3)12-6-5-9-17-15(12)19/h5-9H,4H2,1-3H3
InChIKey
QXCCCMBAVTVUSI-UHFFFAOYSA-N
Compound name
7-chloro-11-ethyl-5,8-dimethylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0652 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07248 170.9
[M+Na]+ 360.05442 183.8
[M-H]- 336.05792 174.5
[M+NH4]+ 355.09902 186.2
[M+K]+ 376.02836 181.9
[M+H-H2O]+ 320.06246 163.0
[M+HCOO]- 382.06340 178.9
[M+CH3COO]- 396.07905 182.0
[M+Na-2H]- 358.03987 174.8
[M]+ 337.06465 175.2
[M]- 337.06575 175.2
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.