CID 462245

Men 10597

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CCN1C=CC=C2C1=NC3=CC=CC=C3S(=O)(=O)N2C
InChI
InChI=1S/C14H15N3O2S/c1-3-17-10-6-8-12-14(17)15-11-7-4-5-9-13(11)20(18,19)16(12)2/h4-10H,3H2,1-2H3
InChIKey
ZNEGYUPDSYZUAJ-UHFFFAOYSA-N
Compound name
1-ethyl-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09578 163.3
[M+Na]+ 312.07772 174.0
[M-H]- 288.08122 166.7
[M+NH4]+ 307.12232 179.0
[M+K]+ 328.05166 172.9
[M+H-H2O]+ 272.08576 155.2
[M+HCOO]- 334.08670 175.9
[M+CH3COO]- 348.10235 174.4
[M+Na-2H]- 310.06317 169.0
[M]+ 289.08795 164.8
[M]- 289.08905 164.8
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.