CID 59239

102156-75-2

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/c1-21-14-8-13-18(21)15-24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3
InChIKey
PVTRRFZPTJJKAI-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 178.3
[M+Na]+ 348.15702 182.0
[M-H]- 324.16052 184.6
[M+NH4]+ 343.20162 191.2
[M+K]+ 364.13096 177.9
[M+H-H2O]+ 308.16506 169.6
[M+HCOO]- 370.16600 195.3
[M+CH3COO]- 384.18165 203.5
[M+Na-2H]- 346.14247 179.6
[M]+ 325.16725 176.2
[M]- 325.16835 176.2
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

patents stripe