CID 3041832

8-(ethylthio)-n,n,5-trimethyl-10,11-dihydro-5h-dibenz(b,f)azepine-10-ethanamine

Structural Information

Molecular Formula
C21H28N2S
SMILES
CCSC1=CC2=C(C=C1)N(C3=CC=CC=C3CC2CCN(C)C)C
InChI
InChI=1S/C21H28N2S/c1-5-24-18-10-11-21-19(15-18)16(12-13-22(2)3)14-17-8-6-7-9-20(17)23(21)4/h6-11,15-16H,5,12-14H2,1-4H3
InChIKey
TXHDGHFTJLBAOT-UHFFFAOYSA-N
Compound name
2-(3-ethylsulfanyl-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19733 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20461 181.3
[M+Na]+ 363.18655 193.1
[M+NH4]+ 358.23115 190.2
[M+K]+ 379.16049 183.5
[M-H]- 339.19005 185.8
[M+Na-2H]- 361.17200 186.6
[M]+ 340.19678 185.0
[M]- 340.19788 185.0
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.