CID 59356

102476-69-7

Structural Information

Molecular Formula
C22H27NO3
SMILES
CN1CCCC1CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO3/c1-23-16-8-14-20(23)15-9-17-26-21(24)22(25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,25H,8-9,14-17H2,1H3
InChIKey
CJFOGWRMHWZKCG-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-2-yl)propyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.3
[M+Na]+ 376.18832 190.1
[M-H]- 352.19182 193.1
[M+NH4]+ 371.23292 199.0
[M+K]+ 392.16226 185.6
[M+H-H2O]+ 336.19636 178.1
[M+HCOO]- 398.19730 203.6
[M+CH3COO]- 412.21295 209.4
[M+Na-2H]- 374.17377 187.5
[M]+ 353.19855 185.8
[M]- 353.19965 185.8
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.