CID 3048181

63886-04-4

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
COCCCNC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C16H17N3O2S/c1-21-11-5-10-18-16(20)19-12-6-2-3-7-13(12)22-14-8-4-9-17-15(14)19/h2-4,6-9H,5,10-11H2,1H3,(H,18,20)
InChIKey
DRXQILDFSOEPHJ-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 168.9
[M+Na]+ 338.09338 176.1
[M-H]- 314.09688 170.8
[M+NH4]+ 333.13798 183.0
[M+K]+ 354.06732 171.1
[M+H-H2O]+ 298.10142 160.4
[M+HCOO]- 360.10236 182.3
[M+CH3COO]- 374.11801 178.7
[M+Na-2H]- 336.07883 174.8
[M]+ 315.10361 172.1
[M]- 315.10471 172.1
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

No patent data available for this compound.