CID 3051463

67465-76-3

Structural Information

Molecular Formula
C18H21N3S
SMILES
CN1CCCC(C1)CN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H21N3S/c1-20-11-5-6-14(12-20)13-21-15-7-2-3-8-16(15)22-17-9-4-10-19-18(17)21/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKey
RMNGITPGXJLUBV-UHFFFAOYSA-N
Compound name
10-[(1-methylpiperidin-3-yl)methyl]pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.14563 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 171.4
[M+Na]+ 334.13485 178.2
[M-H]- 310.13835 174.3
[M+NH4]+ 329.17945 184.3
[M+K]+ 350.10879 171.4
[M+H-H2O]+ 294.14289 161.2
[M+HCOO]- 356.14383 179.4
[M+CH3COO]- 370.15948 180.1
[M+Na-2H]- 332.12030 174.7
[M]+ 311.14508 168.5
[M]- 311.14618 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.