CID 18248

3043-08-1

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCCN1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C23H29NO3/c1-3-16-24-17-10-15-21(24)18-27-22(25)23(26-2,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21H,3,10,15-18H2,1-2H3
InChIKey
FEHXWVTYEARECF-UHFFFAOYSA-N
Compound name
(1-propylpyrrolidin-2-yl)methyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.9
[M+Na]+ 390.203968 194.7
[M-H]- 366.207474 198.9
[M+NH4]+ 385.248573 203.7
[M+K]+ 406.177908 190.8
[M+H-H2O]+ 350.212010 182.2
[M+HCOO]- 412.212951 209.3
[M+CH3COO]- 426.228601 214.8
[M+Na-2H]- 388.189416 192.0
[M]+ 367.21420142 192.5
[M]- 367.21529858 192.5
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.