CID 10041551

Norzotepine

Structural Information

Molecular Formula
C17H16ClNOS
SMILES
CNCCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3
InChIKey
OVVBIIBBRZVPAL-UHFFFAOYSA-N
Compound name
2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

317.06412 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07140 167.3
[M+Na]+ 340.05334 180.8
[M+NH4]+ 335.09794 177.2
[M+K]+ 356.02728 170.7
[M-H]- 316.05684 172.2
[M+Na-2H]- 338.03879 174.6
[M]+ 317.06357 171.7
[M]- 317.06467 171.7
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

patents stripe