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

81
Patents

324.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.227426 182.9
[M+Na]+ 347.209368 186.8
[M-H]- 323.212874 191.5
[M+NH4]+ 342.253973 197.5
[M+K]+ 363.183308 184.5
[M+H-H2O]+ 307.217410 173.4
[M+HCOO]- 369.218351 207.2
[M+CH3COO]- 383.234001 223.3
[M+Na-2H]- 345.194816 183.6
[M]+ 324.21960142 186.2
[M]- 324.22069858 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

patents stripe