CID 3046865

7-dimethylamino-9-phenyl-6,7-dihydro(5h)benzocycloheptene hydrochloride

Structural Information

Molecular Formula
C19H21N
SMILES
CN(C)C1CCC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C19H21N/c1-20(2)17-13-12-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h3-11,14,17H,12-13H2,1-2H3
InChIKey
YDOHXXSVUANDDG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-phenyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.5
[M+Na]+ 286.15662 176.7
[M+NH4]+ 281.20122 173.2
[M+K]+ 302.13056 168.8
[M-H]- 262.16012 170.3
[M+Na-2H]- 284.14207 173.2
[M]+ 263.16685 167.6
[M]- 263.16795 167.6
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

patents stripe