CID 425083

Nsc170494

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CN(C)CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H30N2O3/c1-25(2)17-21-22(18-13-15-26(21)16-14-18)29-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22,28H,13-17H2,1-2H3
InChIKey
FFPATKGBQDEKQE-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 192.6
[M+Na]+ 417.21487 191.7
[M-H]- 393.21837 192.3
[M+NH4]+ 412.25947 205.2
[M+K]+ 433.18881 188.8
[M+H-H2O]+ 377.22291 183.2
[M+HCOO]- 439.22385 198.8
[M+CH3COO]- 453.23950 197.9
[M+Na-2H]- 415.20032 200.0
[M]+ 394.22510 193.3
[M]- 394.22620 193.3
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.