CID 3060527

Brn 3395129

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCN(CC)CCCOC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H29NO2/c1-3-23(4-2)16-11-17-25-22(24)18-21(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21H,3-4,11,16-18H2,1-2H3
InChIKey
KYIVJSVYTMMKBY-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 3,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 187.5
[M+Na]+ 362.20904 189.4
[M-H]- 338.21254 193.7
[M+NH4]+ 357.25364 200.4
[M+K]+ 378.18298 186.5
[M+H-H2O]+ 322.21708 177.8
[M+HCOO]- 384.21802 209.2
[M+CH3COO]- 398.23367 218.4
[M+Na-2H]- 360.19449 188.2
[M]+ 339.21927 190.6
[M]- 339.22037 190.6
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.