CID 28889

Sa 36

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC1=C(C(=CC=C1)C)N(CCCN(C)C)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C21H28N2O/c1-17-10-8-11-18(2)21(17)23(15-9-14-22(3)4)20(24)16-19-12-6-5-7-13-19/h5-8,10-13H,9,14-16H2,1-4H3
InChIKey
UPBRPBXVUIRXRY-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 182.9
[M+Na]+ 347.20937 186.8
[M-H]- 323.21287 191.5
[M+NH4]+ 342.25397 197.5
[M+K]+ 363.18331 184.5
[M+H-H2O]+ 307.21741 173.4
[M+HCOO]- 369.21835 207.2
[M+CH3COO]- 383.23400 223.3
[M+Na-2H]- 345.19482 183.6
[M]+ 324.21960 186.2
[M]- 324.22070 186.2
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.