CID 35926

11-(2-dimethylaminoethyl)-11h-dibenzo(b,f)thiepin-10-one hydrogen maleate

Structural Information

Molecular Formula
C18H19NOS
SMILES
CN(C)CCC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1
InChI
InChI=1S/C18H19NOS/c1-19(2)12-11-17-13-7-3-4-8-14(13)18(20)15-9-5-6-10-16(15)21-17/h3-10,17H,11-12H2,1-2H3
InChIKey
GEZLFFRHZPRLIM-UHFFFAOYSA-N
Compound name
6-[2-(dimethylamino)ethyl]-6H-benzo[c][1]benzothiepin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11874 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12602 167.3
[M+Na]+ 320.10796 173.1
[M-H]- 296.11146 174.7
[M+NH4]+ 315.15256 184.7
[M+K]+ 336.08190 173.4
[M+H-H2O]+ 280.11600 162.0
[M+HCOO]- 342.11694 183.2
[M+CH3COO]- 356.13259 178.3
[M+Na-2H]- 318.09341 170.6
[M]+ 297.11819 167.8
[M]- 297.11929 167.8
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.