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 178.2
[M+Na]+ 363.17397 183.6
[M-H]- 339.17747 180.8
[M+NH4]+ 358.21857 191.5
[M+K]+ 379.14791 171.3
[M+H-H2O]+ 323.18201 169.8
[M+HCOO]- 385.18295 185.1
[M+CH3COO]- 399.19860 185.8
[M+Na-2H]- 361.15942 184.6
[M]+ 340.18420 174.0
[M]- 340.18530 174.0
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.