CID 104629

53873-58-8

Structural Information

Molecular Formula
C22H21N
SMILES
C1C2=CC=CC=C2C3=CC=CC=C3CN1CCC4=CC=CC=C4
InChI
InChI=1S/C22H21N/c1-2-8-18(9-3-1)14-15-23-16-19-10-4-6-12-21(19)22-13-7-5-11-20(22)17-23/h1-13H,14-17H2
InChIKey
KOUXXCZZFBSLKT-UHFFFAOYSA-N
Compound name
6-(2-phenylethyl)-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1674 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17468 172.9
[M+Na]+ 322.15662 179.0
[M-H]- 298.16012 180.3
[M+NH4]+ 317.20122 187.6
[M+K]+ 338.13056 175.7
[M+H-H2O]+ 282.16466 165.4
[M+HCOO]- 344.16560 190.9
[M+CH3COO]- 358.18125 183.0
[M+Na-2H]- 320.14207 179.5
[M]+ 299.16685 168.9
[M]- 299.16795 168.9
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.