CID 24845467

102762-28-7

Structural Information

Molecular Formula
C23H29NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)OC(CN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-23(2,3)20-13-11-19(12-14-20)22(25)26-21(17-24-15-7-8-16-24)18-9-5-4-6-10-18/h4-6,9-14,21H,7-8,15-17H2,1-3H3
InChIKey
DNPRMJLQPBTGGP-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) 4-tert-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.2
[M+Na]+ 374.20904 199.6
[M+NH4]+ 369.25364 195.5
[M+K]+ 390.18298 194.4
[M-H]- 350.21254 192.5
[M+Na-2H]- 372.19449 195.8
[M]+ 351.21927 191.0
[M]- 351.22037 191.0
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.