CID 380213

Nsc665686

Structural Information

Molecular Formula
C24H29NO4
SMILES
CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CCN(CC4)C)O)C
InChI
InChI=1S/C24H29NO4/c1-23(2)16-17-8-7-11-20(21(17)29-23)24(27,18-9-5-4-6-10-18)22(26)28-19-12-14-25(3)15-13-19/h4-11,19,27H,12-16H2,1-3H3
InChIKey
RQMRNZXYQULMBL-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20966 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21694 196.8
[M+Na]+ 418.19888 200.9
[M-H]- 394.20238 204.4
[M+NH4]+ 413.24348 208.7
[M+K]+ 434.17282 197.9
[M+H-H2O]+ 378.20692 188.2
[M+HCOO]- 440.20786 208.4
[M+CH3COO]- 454.22351 218.3
[M+Na-2H]- 416.18433 197.5
[M]+ 395.20911 195.1
[M]- 395.21021 195.1
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.