CID 3040808

8-(ethylthio)-10-(2-(methylamino)ethyl)-5-methyl-5h-dibenz(b,f)azepine fumarate

Structural Information

Molecular Formula
C20H24N2S
SMILES
CCSC1=CC2=C(C=C1)N(C3=CC=CC=C3C=C2CCNC)C
InChI
InChI=1S/C20H24N2S/c1-4-23-17-9-10-20-18(14-17)15(11-12-21-2)13-16-7-5-6-8-19(16)22(20)3/h5-10,13-14,21H,4,11-12H2,1-3H3
InChIKey
LGLIXYCWNZAVKV-UHFFFAOYSA-N
Compound name
2-(3-ethylsulfanyl-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16602 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 176.5
[M+Na]+ 347.15524 189.2
[M+NH4]+ 342.19984 185.4
[M+K]+ 363.12918 179.1
[M-H]- 323.15874 181.0
[M+Na-2H]- 345.14069 182.6
[M]+ 324.16547 180.3
[M]- 324.16657 180.3
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.