CID 10041551

Norztp

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 169.1
[M+Na]+ 340.05334 177.6
[M-H]- 316.05684 175.5
[M+NH4]+ 335.09794 186.4
[M+K]+ 356.02728 175.9
[M+H-H2O]+ 300.06138 164.5
[M+HCOO]- 362.06232 182.2
[M+CH3COO]- 376.07797 180.4
[M+Na-2H]- 338.03879 174.3
[M]+ 317.06357 172.3
[M]- 317.06467 172.3
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

No patent data available for this compound.