CID 9904238

A-75169

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(CCC1=CC=CC=C1)CC2CCCC3=C2C=CC(=C3)O
InChI
InChI=1S/C20H25NO/c1-21(13-12-16-6-3-2-4-7-16)15-18-9-5-8-17-14-19(22)10-11-20(17)18/h2-4,6-7,10-11,14,18,22H,5,8-9,12-13,15H2,1H3
InChIKey
FIRFZYNEZAFKPJ-UHFFFAOYSA-N
Compound name
5-[[methyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

295.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 171.4
[M+Na]+ 318.18282 175.3
[M-H]- 294.18632 177.7
[M+NH4]+ 313.22742 187.0
[M+K]+ 334.15676 170.7
[M+H-H2O]+ 278.19086 162.7
[M+HCOO]- 340.19180 190.8
[M+CH3COO]- 354.20745 208.3
[M+Na-2H]- 316.16827 175.1
[M]+ 295.19305 169.1
[M]- 295.19415 169.1
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

patents stripe