CID 16393

Fc 590

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCN(CC)C(C1=CC=CC=C1)C(=O)OC2=C(C=CC=C2C)C
InChI
InChI=1S/C20H25NO2/c1-5-21(6-2)18(17-13-8-7-9-14-17)20(22)23-19-15(3)11-10-12-16(19)4/h7-14,18H,5-6H2,1-4H3
InChIKey
FYAILJKBSWZMNQ-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.1
[M+Na]+ 334.17776 181.9
[M-H]- 310.18126 184.7
[M+NH4]+ 329.22236 191.9
[M+K]+ 350.15170 179.6
[M+H-H2O]+ 294.18580 168.4
[M+HCOO]- 356.18674 199.6
[M+CH3COO]- 370.20239 214.9
[M+Na-2H]- 332.16321 177.6
[M]+ 311.18799 180.4
[M]- 311.18909 180.4
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.