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 166.4
[M+Na]+ 302.18792 168.6
[M-H]- 278.19142 174.9
[M+NH4]+ 297.23252 182.2
[M+K]+ 318.16186 169.2
[M+H-H2O]+ 262.19596 159.9
[M+HCOO]- 324.19690 185.6
[M+CH3COO]- 338.21255 176.5
[M+Na-2H]- 300.17337 169.7
[M]+ 279.19815 160.8
[M]- 279.19925 160.8
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.