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 172.1
[M+Na]+ 316.20358 175.9
[M-H]- 292.20708 178.0
[M+NH4]+ 311.24818 187.9
[M+K]+ 332.17752 169.9
[M+H-H2O]+ 276.21162 163.2
[M+HCOO]- 338.21256 191.9
[M+CH3COO]- 352.22821 181.9
[M+Na-2H]- 314.18903 176.4
[M]+ 293.21381 169.3
[M]- 293.21491 169.3
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.