CID 28156

11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CN1CCN(CC1)C2(CC3=CC=CC=C3SC4=CC=CC=C42)O
InChI
InChI=1S/C19H22N2OS/c1-20-10-12-21(13-11-20)19(22)14-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)19/h2-9,22H,10-14H2,1H3
InChIKey
IUSAASOOHLFPGI-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 175.1
[M+Na]+ 349.13452 187.1
[M+NH4]+ 344.17912 185.2
[M+K]+ 365.10846 176.6
[M-H]- 325.13802 179.5
[M+Na-2H]- 347.11997 182.5
[M]+ 326.14475 178.8
[M]- 326.14585 178.8
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.