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]+ 368.22203 191.9
[M+Na]+ 390.20397 194.7
[M-H]- 366.20747 198.9
[M+NH4]+ 385.24857 203.7
[M+K]+ 406.17791 190.8
[M+H-H2O]+ 350.21201 182.2
[M+HCOO]- 412.21295 209.3
[M+CH3COO]- 426.22860 214.8
[M+Na-2H]- 388.18942 192.0
[M]+ 367.21420 192.5
[M]- 367.21530 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.