CID 217871

Nsc 309718

Structural Information

Molecular Formula
C18H19NO2
SMILES
CN(C)[C@H]1CC2=CC=CC=C2[C@H]1OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO2/c1-19(2)16-12-14-10-6-7-11-15(14)17(16)21-18(20)13-8-4-3-5-9-13/h3-11,16-17H,12H2,1-2H3/t16-,17+/m0/s1
InChIKey
XHYXVRAZPBSVMR-DLBZAZTESA-N
Compound name
[(1R,2S)-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 166.1
[M+Na]+ 304.130788 172.2
[M-H]- 280.134294 174.9
[M+NH4]+ 299.175393 184.9
[M+K]+ 320.104728 169.4
[M+H-H2O]+ 264.138830 158.4
[M+HCOO]- 326.139771 189.4
[M+CH3COO]- 340.155421 205.8
[M+Na-2H]- 302.116236 168.5
[M]+ 281.14102142 167.4
[M]- 281.14211858 167.4
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.