CID 3048157

D 247

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
C1CCN(C1)CCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H21N3O2S/c23-19(24-14-6-13-21-11-3-4-12-21)22-15-7-1-2-8-16(15)25-17-9-5-10-20-18(17)22/h1-2,5,7-10H,3-4,6,11-14H2
InChIKey
URWJETCWUVGNJK-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl 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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 182.4
[M+Na]+ 378.12466 188.7
[M-H]- 354.12816 185.8
[M+NH4]+ 373.16926 195.2
[M+K]+ 394.09860 183.3
[M+H-H2O]+ 338.13270 173.0
[M+HCOO]- 400.13364 192.1
[M+CH3COO]- 414.14929 191.0
[M+Na-2H]- 376.11011 183.1
[M]+ 355.13489 183.4
[M]- 355.13599 183.4
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.