CID 168893

Oxypendyl dihydrochloride

Structural Information

Molecular Formula
C20H26N4OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2N=CC=C4)CCO
InChI
InChI=1S/C20H26N4OS/c25-16-15-23-13-11-22(12-14-23)9-4-10-24-17-5-1-2-6-18(17)26-19-7-3-8-21-20(19)24/h1-3,5-8,25H,4,9-16H2
InChIKey
RUPOLIZWSDDWNJ-UHFFFAOYSA-N
Compound name
2-[4-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

526
Patents

370.18274 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19002 188.2
[M+Na]+ 393.17196 201.9
[M+NH4]+ 388.21656 196.2
[M+K]+ 409.14590 190.9
[M-H]- 369.17546 191.6
[M+Na-2H]- 391.15741 193.5
[M]+ 370.18219 191.6
[M]- 370.18329 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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