CID 115474

63979-47-5

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC)N(C)C
InChI
InChI=1S/C20H25NO2/c1-16(21(2)3)15-20(19(22)23-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,15H2,1-4H3
InChIKey
SEJPYHSHFITIRU-UHFFFAOYSA-N
Compound name
methyl 4-(dimethylamino)-2,2-diphenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.7
[M+Na]+ 334.17776 180.0
[M-H]- 310.18126 183.8
[M+NH4]+ 329.22236 191.0
[M+K]+ 350.15170 178.2
[M+H-H2O]+ 294.18580 168.2
[M+HCOO]- 356.18674 197.6
[M+CH3COO]- 370.20239 212.9
[M+Na-2H]- 332.16321 179.6
[M]+ 311.18799 178.8
[M]- 311.18909 178.8
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.