CID 380215

Nsc665690

Structural Information

Molecular Formula
C24H31NO4
SMILES
CC1(CC2=C(O1)C(=CC=C2)C(CC3=CC=CC=C3)(C(=O)OCCCN(C)C)O)C
InChI
InChI=1S/C24H31NO4/c1-23(2)17-19-12-8-13-20(21(19)29-23)24(27,16-18-10-6-5-7-11-18)22(26)28-15-9-14-25(3)4/h5-8,10-13,27H,9,14-17H2,1-4H3
InChIKey
ZFYALDDPNSZUCP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2253 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 199.4
[M+Na]+ 420.21452 203.6
[M-H]- 396.21802 206.8
[M+NH4]+ 415.25912 213.4
[M+K]+ 436.18846 201.9
[M+H-H2O]+ 380.22256 192.1
[M+HCOO]- 442.22350 216.9
[M+CH3COO]- 456.23915 225.4
[M+Na-2H]- 418.19997 201.7
[M]+ 397.22475 204.3
[M]- 397.22585 204.3
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.