CID 3048139

D 235

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CCN1CCC(CC1)OC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H21N3O2S/c1-2-21-12-9-14(10-13-21)24-19(23)22-15-6-3-4-7-16(15)25-17-8-5-11-20-18(17)22/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKey
PRVVFMYOSHBUNY-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13544 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 181.8
[M+Na]+ 378.12466 187.7
[M-H]- 354.12816 184.6
[M+NH4]+ 373.16926 192.6
[M+K]+ 394.09860 182.0
[M+H-H2O]+ 338.13270 171.5
[M+HCOO]- 400.13364 189.0
[M+CH3COO]- 414.14929 189.7
[M+Na-2H]- 376.11011 184.2
[M]+ 355.13489 180.7
[M]- 355.13599 180.7
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.