CID 59707

102762-74-3

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCCN1CCCC1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C23H29NO3/c1-2-16-24-17-9-14-21(24)15-18-27-22(25)23(26,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,26H,2,9,14-18H2,1H3
InChIKey
HAGMSRVQSMSVNI-UHFFFAOYSA-N
Compound name
2-(1-propylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.8
[M+Na]+ 390.203968 194.1
[M-H]- 366.207474 197.4
[M+NH4]+ 385.248573 202.8
[M+K]+ 406.177908 189.3
[M+H-H2O]+ 350.212010 182.4
[M+HCOO]- 412.212951 207.7
[M+CH3COO]- 426.228601 212.4
[M+Na-2H]- 388.189416 191.5
[M]+ 367.21420142 190.5
[M]- 367.21529858 190.5
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.