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 175.0
[M+Na]+ 349.15832 182.2
[M-H]- 325.16182 178.7
[M+NH4]+ 344.20292 191.1
[M+K]+ 365.13226 170.3
[M+H-H2O]+ 309.16636 167.9
[M+HCOO]- 371.16730 184.7
[M+CH3COO]- 385.18295 184.1
[M+Na-2H]- 347.14377 179.7
[M]+ 326.16855 173.1
[M]- 326.16965 173.1
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.