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]+ 368.22203 191.8
[M+Na]+ 390.20397 194.1
[M-H]- 366.20747 197.4
[M+NH4]+ 385.24857 202.8
[M+K]+ 406.17791 189.3
[M+H-H2O]+ 350.21201 182.4
[M+HCOO]- 412.21295 207.7
[M+CH3COO]- 426.22860 212.4
[M+Na-2H]- 388.18942 191.5
[M]+ 367.21420 190.5
[M]- 367.21530 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.