CID 40339

52371-55-8

Structural Information

Molecular Formula
C20H23NO2
SMILES
CN(C)[C@@H]1CC[C@](C2=CC=CC=C12)(C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C20H23NO2/c1-21(2)18-13-14-20(19(22)23-3,15-9-5-4-6-10-15)17-12-8-7-11-16(17)18/h4-12,18H,13-14H2,1-3H3/t18-,20-/m1/s1
InChIKey
XCCQVTXJZHGIGN-UYAOXDASSA-N
Compound name
methyl (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 174.5
[M+Na]+ 332.16210 179.8
[M-H]- 308.16560 182.7
[M+NH4]+ 327.20670 192.1
[M+K]+ 348.13604 177.0
[M+H-H2O]+ 292.17014 165.9
[M+HCOO]- 354.17108 194.7
[M+CH3COO]- 368.18673 211.9
[M+Na-2H]- 330.14755 178.4
[M]+ 309.17233 174.4
[M]- 309.17343 174.4
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.