CID 35926

Dibenzo(b,f)thiepin-10(11h)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)

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]+ 298.126016 167.3
[M+Na]+ 320.107958 173.1
[M-H]- 296.111464 174.7
[M+NH4]+ 315.152563 184.7
[M+K]+ 336.081898 173.4
[M+H-H2O]+ 280.116000 162.0
[M+HCOO]- 342.116941 183.2
[M+CH3COO]- 356.132591 178.3
[M+Na-2H]- 318.093406 170.6
[M]+ 297.11819142 167.8
[M]- 297.11928858 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.