CID 3041833

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

Structural Information

Molecular Formula
C21H28N2O2S
SMILES
CCS(=O)(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3CC2CCN(C)C)C
InChI
InChI=1S/C21H28N2O2S/c1-5-26(24,25)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
MOYNETOGAMLCBJ-UHFFFAOYSA-N
Compound name
2-(3-ethylsulfonyl-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

372.18716 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19444 188.8
[M+Na]+ 395.17638 194.6
[M-H]- 371.17988 194.8
[M+NH4]+ 390.22098 202.2
[M+K]+ 411.15032 195.0
[M+H-H2O]+ 355.18442 182.0
[M+HCOO]- 417.18536 201.3
[M+CH3COO]- 431.20101 224.0
[M+Na-2H]- 393.16183 191.1
[M]+ 372.18661 191.3
[M]- 372.18771 191.3
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.