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

628
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 186.7
[M+Na]+ 393.17196 191.9
[M-H]- 369.17546 186.3
[M+NH4]+ 388.21656 194.9
[M+K]+ 409.14590 184.2
[M+H-H2O]+ 353.18000 175.7
[M+HCOO]- 415.18094 191.4
[M+CH3COO]- 429.19659 192.9
[M+Na-2H]- 391.15741 189.0
[M]+ 370.18219 184.6
[M]- 370.18329 184.6
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

patents stripe