CID 204903

Brn 1332921

Structural Information

Molecular Formula
C30H39NO2
SMILES
CC1(C2CCC1(C(C2CN3CCCCC3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C
InChI
InChI=1S/C30H39NO2/c1-29(2)25-17-18-30(29,3)27(24(25)21-31-19-11-6-12-20-31)33-28(32)26(22-13-7-4-8-14-22)23-15-9-5-10-16-23/h4-5,7-10,13-16,24-27H,6,11-12,17-21H2,1-3H3
InChIKey
CDDNEKVSVVARGX-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.29807 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.30535 215.7
[M+Na]+ 468.28729 217.5
[M-H]- 444.29079 224.7
[M+NH4]+ 463.33189 231.2
[M+K]+ 484.26123 211.5
[M+H-H2O]+ 428.29533 205.5
[M+HCOO]- 490.29627 226.9
[M+CH3COO]- 504.31192 222.1
[M+Na-2H]- 466.27274 209.2
[M]+ 445.29752 211.6
[M]- 445.29862 211.6
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.