CID 38343

39787-49-0

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)[C@H]1CCC2=CC=CC=C2[C@H]1OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c1-20(2)17-13-12-14-8-6-7-11-16(14)18(17)22-19(21)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1
InChIKey
LBQGJHNNGUZLOH-ZWKOTPCHSA-N
Compound name
[(1R,2S)-2-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 169.4
[M+Na]+ 318.14645 174.0
[M-H]- 294.14995 177.3
[M+NH4]+ 313.19105 185.5
[M+K]+ 334.12039 171.1
[M+H-H2O]+ 278.15449 160.6
[M+HCOO]- 340.15543 189.9
[M+CH3COO]- 354.17108 209.4
[M+Na-2H]- 316.13190 172.9
[M]+ 295.15668 168.6
[M]- 295.15778 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.