CID 40038

5h-benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-n,n-dimethyl-alpha-phenyl-, hydrochloride

Structural Information

Molecular Formula
C20H25N
SMILES
CN(C)C(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C20H25N/c1-21(2)20(17-10-6-4-7-11-17)19-14-13-16-9-5-3-8-12-18(16)15-19/h4,6-7,10-11,13-15,20H,3,5,8-9,12H2,1-2H3
InChIKey
UFJSMZIVPSHNFM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 168.9
[M+Na]+ 302.18792 180.3
[M+NH4]+ 297.23252 178.2
[M+K]+ 318.16186 173.0
[M-H]- 278.19142 175.2
[M+Na-2H]- 300.17337 177.3
[M]+ 279.19815 172.5
[M]- 279.19925 172.5
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.