CID 3051500

67466-09-5

Structural Information

Molecular Formula
C17H19N3S
SMILES
C1CCN(C1)CCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C17H19N3S/c1-2-7-15-14(6-1)20(13-12-19-10-3-4-11-19)17-16(21-15)8-5-9-18-17/h1-2,5-9H,3-4,10-13H2
InChIKey
GKTHMHXFBVBXPR-UHFFFAOYSA-N
Compound name
10-(2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13725 167.2
[M+Na]+ 320.11919 175.0
[M-H]- 296.12269 170.9
[M+NH4]+ 315.16379 182.7
[M+K]+ 336.09313 168.8
[M+H-H2O]+ 280.12723 158.1
[M+HCOO]- 342.12817 178.2
[M+CH3COO]- 356.14382 177.1
[M+Na-2H]- 318.10464 169.5
[M]+ 297.12942 166.3
[M]- 297.13052 166.3
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.