CID 3051260

D 240

Structural Information

Molecular Formula
C20H26N3S
SMILES
C[N+]1(CCCCC1)CCCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C20H26N3S/c1-23(14-5-2-6-15-23)16-8-13-22-17-9-3-4-10-18(17)24-19-11-7-12-21-20(19)22/h3-4,7,9-12H,2,5-6,8,13-16H2,1H3/q+1
InChIKey
IYGOFOUGVJNCCM-UHFFFAOYSA-N
Compound name
10-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.18475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19203 176.3
[M+Na]+ 363.17397 193.2
[M+NH4]+ 358.21857 188.9
[M+K]+ 379.14791 179.7
[M-H]- 339.17747 183.3
[M+Na-2H]- 361.15942 186.2
[M]+ 340.18420 181.9
[M]- 340.18530 181.9
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.