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 170.2
[M+Na]+ 334.13485 176.1
[M-H]- 310.13835 172.7
[M+NH4]+ 329.17945 182.8
[M+K]+ 350.10879 169.4
[M+H-H2O]+ 294.14289 159.8
[M+HCOO]- 356.14383 178.3
[M+CH3COO]- 370.15948 178.6
[M+Na-2H]- 332.12030 174.3
[M]+ 311.14508 166.9
[M]- 311.14618 166.9
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.