CID 203997

15562-92-2

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCC(CN(CC)CC)OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H29NO3/c1-4-20(17-23(5-2)6-3)26-21(24)22(25,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20,25H,4-6,17H2,1-3H3
InChIKey
RASGLRQARDJDSK-UHFFFAOYSA-N
Compound name
1-(diethylamino)butan-2-yl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 189.3
[M+Na]+ 378.203968 191.1
[M-H]- 354.207474 194.5
[M+NH4]+ 373.248573 200.9
[M+K]+ 394.177908 188.6
[M+H-H2O]+ 338.212010 180.4
[M+HCOO]- 400.212951 208.1
[M+CH3COO]- 414.228601 218.3
[M+Na-2H]- 376.189416 190.7
[M]+ 355.21420142 191.5
[M]- 355.21529858 191.5
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.