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

17826
Patents

380.24637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.2
[M+Na]+ 403.23559 198.1
[M-H]- 379.23909 204.7
[M+NH4]+ 398.28019 204.7
[M+K]+ 419.20953 195.7
[M+H-H2O]+ 363.24363 185.3
[M+HCOO]- 425.24457 211.4
[M+CH3COO]- 439.26022 226.6
[M+Na-2H]- 401.22104 197.1
[M]+ 380.24582 195.1
[M]- 380.24692 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