CID 204853

Brn 2789686

Structural Information

Molecular Formula
C31H43NO3
SMILES
CC(C)N(CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C2(C)C)C)C(C)C
InChI
InChI=1S/C31H43NO3/c1-21(2)32(22(3)4)20-25-26-18-19-30(7,29(26,5)6)27(25)35-28(33)31(34,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-27,34H,18-20H2,1-7H3
InChIKey
SCSXAYDBQQVIHA-UHFFFAOYSA-N
Compound name
[3-[[di(propan-2-yl)amino]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

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.33156 217.3
[M+Na]+ 500.31350 224.2
[M+NH4]+ 495.35810 226.4
[M+K]+ 516.28744 218.9
[M-H]- 476.31700 220.5
[M+Na-2H]- 498.29895 222.5
[M]+ 477.32373 219.3
[M]- 477.32483 219.3
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.