CID 203996

15562-91-1

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(CC)CC
InChI
InChI=1S/C22H29NO3/c1-4-20(23(5-2)6-3)17-26-21(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
XEECKVYRHXGIEU-UHFFFAOYSA-N
Compound name
2-(diethylamino)butyl 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]+ 356.22203 189.3
[M+Na]+ 378.20397 191.1
[M-H]- 354.20747 194.5
[M+NH4]+ 373.24857 200.9
[M+K]+ 394.17791 188.6
[M+H-H2O]+ 338.21201 180.4
[M+HCOO]- 400.21295 208.1
[M+CH3COO]- 414.22860 218.3
[M+Na-2H]- 376.18942 190.7
[M]+ 355.21420 191.5
[M]- 355.21530 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.