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]+ 280.205976 166.4
[M+Na]+ 302.187918 168.6
[M-H]- 278.191424 174.9
[M+NH4]+ 297.232523 182.2
[M+K]+ 318.161858 169.2
[M+H-H2O]+ 262.195960 159.9
[M+HCOO]- 324.196901 185.6
[M+CH3COO]- 338.212551 176.5
[M+Na-2H]- 300.173366 169.7
[M]+ 279.19815142 160.8
[M]- 279.19924858 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.