CID 28466

Sa 149

Structural Information

Molecular Formula
C22H30N2O
SMILES
CC1=C(C(=CC=C1)C)N(CCCN(C)C)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)22(18)24(17-9-16-23(3)4)21(25)15-14-20-12-6-5-7-13-20/h5-8,10-13H,9,14-17H2,1-4H3
InChIKey
WKTOWIPEMBNMSJ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 187.5
[M+Na]+ 361.22502 191.0
[M-H]- 337.22852 195.9
[M+NH4]+ 356.26962 201.6
[M+K]+ 377.19896 188.5
[M+H-H2O]+ 321.23306 177.8
[M+HCOO]- 383.23400 211.5
[M+CH3COO]- 397.24965 226.2
[M+Na-2H]- 359.21047 187.7
[M]+ 338.23525 191.2
[M]- 338.23635 191.2
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.