CID 57015

96072-76-3

Structural Information

Molecular Formula
C26H29NO2
SMILES
CCN(CC)C(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-3-27(4-2)24(21-14-8-5-9-15-21)20-29-26(28)25(22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-25H,3-4,20H2,1-2H3
InChIKey
KYTMROFPVQZJBA-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-2-phenylethyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.21982 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22710 199.0
[M+Na]+ 410.20904 199.8
[M-H]- 386.21254 207.9
[M+NH4]+ 405.25364 209.0
[M+K]+ 426.18298 196.1
[M+H-H2O]+ 370.21708 187.9
[M+HCOO]- 432.21802 219.3
[M+CH3COO]- 446.23367 226.9
[M+Na-2H]- 408.19449 198.9
[M]+ 387.21927 199.9
[M]- 387.22037 199.9
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.