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

0
Patents

281.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 166.1
[M+Na]+ 304.13079 172.2
[M-H]- 280.13429 174.9
[M+NH4]+ 299.17539 184.9
[M+K]+ 320.10473 169.4
[M+H-H2O]+ 264.13883 158.4
[M+HCOO]- 326.13977 189.4
[M+CH3COO]- 340.15542 205.8
[M+Na-2H]- 302.11624 168.5
[M]+ 281.14102 167.4
[M]- 281.14212 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.