CID 18457

3142-11-8

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCCC(C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C
InChI
InChI=1S/C24H33NO3/c1-5-12-20(2)19-28-24(21-13-8-6-9-14-21,22-15-10-7-11-16-22)23(26)27-18-17-25(3)4/h6-11,13-16,20H,5,12,17-19H2,1-4H3
InChIKey
QTPXAMWHMKOFIV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-methylpentoxy)-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 197.1
[M+Na]+ 406.23525 207.4
[M+NH4]+ 401.27985 203.3
[M+K]+ 422.20919 200.7
[M-H]- 382.23875 200.6
[M+Na-2H]- 404.22070 204.0
[M]+ 383.24548 199.5
[M]- 383.24658 199.5
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.