CID 54018

77985-15-0

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCN(CC)CCOC(=O)C(CCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H29NO2/c1-3-23(4-2)17-18-25-22(24)21(20-13-9-6-10-14-20)16-15-19-11-7-5-8-12-19/h5-14,21H,3-4,15-18H2,1-2H3
InChIKey
RHQLGMFQMOJMSC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,4-diphenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 187.5
[M+Na]+ 362.209038 189.4
[M-H]- 338.212544 193.7
[M+NH4]+ 357.253643 200.4
[M+K]+ 378.182978 186.5
[M+H-H2O]+ 322.217080 177.8
[M+HCOO]- 384.218021 209.2
[M+CH3COO]- 398.233671 218.4
[M+Na-2H]- 360.194486 188.2
[M]+ 339.21927142 190.6
[M]- 339.22036858 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.