CID 3051258

D 228

Structural Information

Molecular Formula
C19H24N3S
SMILES
C[N+]1(CCCCC1)CCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H24N3S/c1-22(13-5-2-6-14-22)15-12-21-16-8-3-4-9-17(16)23-18-10-7-11-20-19(18)21/h3-4,7-11H,2,5-6,12-15H2,1H3/q+1
InChIKey
UUPPACSLULBYDM-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1691 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17638 174.0
[M+Na]+ 349.15832 179.8
[M-H]- 325.16182 176.8
[M+NH4]+ 344.20292 187.8
[M+K]+ 365.13226 167.8
[M+H-H2O]+ 309.16636 165.7
[M+HCOO]- 371.16730 181.2
[M+CH3COO]- 385.18295 182.0
[M+Na-2H]- 347.14377 180.9
[M]+ 326.16855 169.5
[M]- 326.16965 169.5
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.