CID 3051466

10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(2-piperidinoethyl)-

Structural Information

Molecular Formula
C18H21N3S
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H21N3S/c1-4-11-20(12-5-1)13-14-21-15-7-2-3-8-16(15)22-17-9-6-10-19-18(17)21/h2-3,6-10H,1,4-5,11-14H2
InChIKey
GHLBAFVCLJDWAB-UHFFFAOYSA-N
Compound name
10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 171.1
[M+Na]+ 334.13485 186.3
[M+NH4]+ 329.17945 181.3
[M+K]+ 350.10879 174.4
[M-H]- 310.13835 176.5
[M+Na-2H]- 332.12030 178.8
[M]+ 311.14508 175.5
[M]- 311.14618 175.5
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.