CID 213108

25501-35-3

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCN(CC)CC(C)OC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H29NO2/c1-5-23(6-2)17-18(3)25-21(24)22(4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,5-6,17H2,1-4H3
InChIKey
CKCSRNQAOJMTBX-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl 2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 186.1
[M+Na]+ 362.209038 188.5
[M-H]- 338.212544 192.7
[M+NH4]+ 357.253643 199.2
[M+K]+ 378.182978 186.2
[M+H-H2O]+ 322.217080 177.1
[M+HCOO]- 384.218021 206.3
[M+CH3COO]- 398.233671 218.8
[M+Na-2H]- 360.194486 187.8
[M]+ 339.21927142 188.8
[M]- 339.22036858 188.8
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.