CID 3053874

Anc-31

Structural Information

Molecular Formula
C20H24N2O3
SMILES
C1CCN(C1)NCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H24N2O3/c23-19(25-16-13-21-22-14-7-8-15-22)20(24,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,21,24H,7-8,13-16H2
InChIKey
ZNLXTRGHUFIDJL-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 180.1
[M+Na]+ 363.16790 181.9
[M-H]- 339.17140 185.8
[M+NH4]+ 358.21250 191.6
[M+K]+ 379.14184 177.8
[M+H-H2O]+ 323.17594 170.7
[M+HCOO]- 385.17688 198.1
[M+CH3COO]- 399.19253 207.4
[M+Na-2H]- 361.15335 182.9
[M]+ 340.17813 176.8
[M]- 340.17923 176.8
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.