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]+ 324.19582 180.3
[M+Na]+ 346.17776 183.4
[M-H]- 322.18126 187.4
[M+NH4]+ 341.22236 193.7
[M+K]+ 362.15170 179.2
[M+H-H2O]+ 306.18580 170.5
[M+HCOO]- 368.18674 198.8
[M+CH3COO]- 382.20239 207.3
[M+Na-2H]- 344.16321 179.1
[M]+ 323.18799 178.6
[M]- 323.18909 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.