CID 3051504

D 239

Structural Information

Molecular Formula
C19H24N3S
SMILES
C[N+]1(CCCC1)CCCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H24N3S/c1-22(13-4-5-14-22)15-7-12-21-16-8-2-3-9-17(16)23-18-10-6-11-20-19(18)21/h2-3,6,8-11H,4-5,7,12-15H2,1H3/q+1
InChIKey
KIDITDKTHTZABJ-UHFFFAOYSA-N
Compound name
10-[3-(1-methylpyrrolidin-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

326.1691 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17638 172.2
[M+Na]+ 349.15832 188.3
[M+NH4]+ 344.20292 184.8
[M+K]+ 365.13226 177.1
[M-H]- 325.16182 178.5
[M+Na-2H]- 347.14377 181.3
[M]+ 326.16855 177.5
[M]- 326.16965 177.5
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.