CID 10528

Dl 219

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCC(CN(C)C)(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H25NO2/c1-4-20(16-21(2)3,18-13-9-6-10-14-18)19(22)23-15-17-11-7-5-8-12-17/h5-14H,4,15-16H2,1-3H3
InChIKey
KTMMAQUOYWBMQY-UHFFFAOYSA-N
Compound name
benzyl 2-[(dimethylamino)methyl]-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.2
[M+Na]+ 334.17776 180.8
[M-H]- 310.18126 184.2
[M+NH4]+ 329.22236 191.6
[M+K]+ 350.15170 178.4
[M+H-H2O]+ 294.18580 168.5
[M+HCOO]- 356.18674 199.1
[M+CH3COO]- 370.20239 212.0
[M+Na-2H]- 332.16321 181.2
[M]+ 311.18799 179.8
[M]- 311.18909 179.8
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.