CID 59679

102597-03-5

Structural Information

Molecular Formula
C21H25NO2
SMILES
CN1CCCC1CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-22-15-8-13-19(22)14-16-24-21(23)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3
InChIKey
PVSHEWUMRADDHZ-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 180.3
[M+Na]+ 346.177758 183.4
[M-H]- 322.181264 187.4
[M+NH4]+ 341.222363 193.7
[M+K]+ 362.151698 179.2
[M+H-H2O]+ 306.185800 170.5
[M+HCOO]- 368.186741 198.8
[M+CH3COO]- 382.202391 207.3
[M+Na-2H]- 344.163206 179.1
[M]+ 323.18799142 178.6
[M]- 323.18908858 178.6
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.