CID 204790

1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-phenylpiperazine methanesulfonate

Structural Information

Molecular Formula
C24H24N2S
SMILES
C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C5=CC=CC=C5
InChI
InChI=1S/C24H24N2S/c1-2-9-20(10-3-1)25-14-16-26(17-15-25)22-18-19-8-4-6-12-23(19)27-24-13-7-5-11-21(22)24/h1-13,22H,14-18H2
InChIKey
YJYIZAFFTXOBSP-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16602 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17330 191.8
[M+Na]+ 395.15524 206.4
[M+NH4]+ 390.19984 201.6
[M+K]+ 411.12918 194.9
[M-H]- 371.15874 199.5
[M+Na-2H]- 393.14069 200.8
[M]+ 372.16547 196.9
[M]- 372.16657 196.9
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.