CID 108368

55798-64-6

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)(C(=O)OCCCN3CCCC3)O
InChI
InChI=1S/C23H29NO3/c1-18-11-12-19(2)21(17-18)23(26,20-9-4-3-5-10-20)22(25)27-16-8-15-24-13-6-7-14-24/h3-5,9-12,17,26H,6-8,13-16H2,1-2H3
InChIKey
DBWRGKWALIKVEU-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 191.9
[M+Na]+ 390.20397 202.9
[M+NH4]+ 385.24857 198.3
[M+K]+ 406.17791 198.0
[M-H]- 366.20747 195.5
[M+Na-2H]- 388.18942 198.5
[M]+ 367.21420 194.4
[M]- 367.21530 194.4
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.