CID 204899

Brn 2781750

Structural Information

Molecular Formula
C29H39NO2
SMILES
CCN(CC)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)(C2(C)C)C
InChI
InChI=1S/C29H39NO2/c1-6-30(7-2)20-23-24-18-19-29(5,28(24,3)4)26(23)32-27(31)25(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23-26H,6-7,18-20H2,1-5H3
InChIKey
OZRCZOWAUHDSLL-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.29807 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.30535 213.3
[M+Na]+ 456.28729 216.6
[M-H]- 432.29079 222.7
[M+NH4]+ 451.33189 231.9
[M+K]+ 472.26123 212.1
[M+H-H2O]+ 416.29533 205.5
[M+HCOO]- 478.29627 230.6
[M+CH3COO]- 492.31192 236.8
[M+Na-2H]- 454.27274 208.9
[M]+ 433.29752 215.9
[M]- 433.29862 215.9
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.