CID 204910

Brn 2789696

Structural Information

Molecular Formula
C31H43NO3
SMILES
CCCN(CCC)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C2(C)C)C
InChI
InChI=1S/C31H43NO3/c1-6-20-32(21-7-2)22-25-26-18-19-30(5,29(26,3)4)27(25)35-28(33)31(34,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,25-27,34H,6-7,18-22H2,1-5H3
InChIKey
VIMFXCZXDWJYJE-UHFFFAOYSA-N
Compound name
[3-[(dipropylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.32428 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.33156 219.5
[M+Na]+ 500.31350 227.2
[M+NH4]+ 495.35810 228.9
[M+K]+ 516.28744 220.1
[M-H]- 476.31700 223.1
[M+Na-2H]- 498.29895 225.2
[M]+ 477.32373 221.8
[M]- 477.32483 221.8
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.