CID 216126

37124-14-4

Structural Information

Molecular Formula
C25H31NO2
SMILES
CC1CCCC(N1CCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C25H31NO2/c1-19-10-9-11-20(2)26(19)16-17-28-24(27)23-18-25(23,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,12-15,19-20,23H,9-11,16-18H2,1-2H3
InChIKey
IIRWBZKWFFNWOU-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylpiperidin-1-yl)ethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23547 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 193.5
[M+Na]+ 400.22469 198.7
[M-H]- 376.22819 203.7
[M+NH4]+ 395.26929 200.7
[M+K]+ 416.19863 194.3
[M+H-H2O]+ 360.23273 183.3
[M+HCOO]- 422.23367 209.9
[M+CH3COO]- 436.24932 201.7
[M+Na-2H]- 398.21014 193.2
[M]+ 377.23492 193.7
[M]- 377.23602 193.7
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.