CID 3038743

Noroxyclothepin methanesulfonate

Structural Information

Molecular Formula
C20H23ClN2OS
SMILES
C1CN(CCN1CCO)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2OS/c21-16-5-6-20-17(14-16)18(13-15-3-1-2-4-19(15)25-20)23-9-7-22(8-10-23)11-12-24/h1-6,14,18,24H,7-13H2
InChIKey
PVUHXHTYYBAJFF-UHFFFAOYSA-N
Compound name
2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.12195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12923 185.7
[M+Na]+ 397.11117 198.6
[M+NH4]+ 392.15577 194.5
[M+K]+ 413.08511 188.6
[M-H]- 373.11467 190.2
[M+Na-2H]- 395.09662 191.2
[M]+ 374.12140 189.7
[M]- 374.12250 189.7
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

No patent data available for this compound.