CID 22019755

1-butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCC(CC1=CC=C(C=C1)C)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C
InChI
InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3
InChIKey
PUBNJSZGANKUGX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12922
Patents

380.24637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 196.2
[M+Na]+ 403.235588 198.1
[M-H]- 379.239094 204.7
[M+NH4]+ 398.280193 204.7
[M+K]+ 419.209528 195.7
[M+H-H2O]+ 363.243630 185.3
[M+HCOO]- 425.244571 211.4
[M+CH3COO]- 439.260221 226.6
[M+Na-2H]- 401.221036 197.1
[M]+ 380.24582142 195.1
[M]- 380.24691858 195.1
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