CID 59232

8-ethyl-1-(2-phenylethylamino)methyl-1,2,3,4-tetrahydronaphthalene hydrogen maleate

Structural Information

Molecular Formula
C21H27N
SMILES
CCC1=CC=CC2=C1C(CCC2)CNCCC3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-2-18-10-6-11-19-12-7-13-20(21(18)19)16-22-15-14-17-8-4-3-5-9-17/h3-6,8-11,20,22H,2,7,12-16H2,1H3
InChIKey
HIMXAJFSZURLQK-UHFFFAOYSA-N
Compound name
N-[(8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 174.3
[M+Na]+ 316.20358 188.6
[M+NH4]+ 311.24818 184.6
[M+K]+ 332.17752 177.7
[M-H]- 292.20708 181.5
[M+Na-2H]- 314.18903 183.1
[M]+ 293.21381 178.6
[M]- 293.21491 178.6
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

No patent data available for this compound.