CID 115886

63938-43-2

Structural Information

Molecular Formula
C28H29NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC2=CC=CC=C21)(C3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C28H29NO3/c1-3-29(4-2)19-20-32-27(30)28(31,25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26/h5-18,31H,3-4,19-20H2,1-2H3
InChIKey
NPTVZWYQEQIGAO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2,2-dinaphthalen-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.21475 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.22203 206.7
[M+Na]+ 450.20397 221.5
[M+NH4]+ 445.24857 214.6
[M+K]+ 466.17791 212.2
[M-H]- 426.20747 212.6
[M+Na-2H]- 448.18942 215.4
[M]+ 427.21420 210.7
[M]- 427.21530 210.7
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.