CID 65615

Cloxypendyl dihydrochloride

Structural Information

Molecular Formula
C20H25ClN4OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2N=CC(=C4)Cl)CCO
InChI
InChI=1S/C20H25ClN4OS/c21-16-14-19-20(22-15-16)25(17-4-1-2-5-18(17)27-19)7-3-6-23-8-10-24(11-9-23)12-13-26/h1-2,4-5,14-15,26H,3,6-13H2
InChIKey
VBTNUSHFBRTASB-UHFFFAOYSA-N
Compound name
2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

404.14377 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15105 192.1
[M+Na]+ 427.13299 198.7
[M-H]- 403.13649 191.9
[M+NH4]+ 422.17759 200.1
[M+K]+ 443.10693 190.1
[M+H-H2O]+ 387.14103 181.6
[M+HCOO]- 449.14197 192.1
[M+CH3COO]- 463.15762 198.2
[M+Na-2H]- 425.11844 193.3
[M]+ 404.14322 192.4
[M]- 404.14432 192.4
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

patents stripe