CID 200902

2921-06-4

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(C)(CCC(=O)C1=CC=CC=C1)C(C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C21H27NO/c1-21(2,16-15-19(23)17-11-7-5-8-12-17)20(22(3)4)18-13-9-6-10-14-18/h5-14,20H,15-16H2,1-4H3
InChIKey
POQYLIRQJVCPSX-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4,4-dimethyl-1,5-diphenylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.7
[M+Na]+ 332.19848 180.6
[M-H]- 308.20198 184.5
[M+NH4]+ 327.24308 192.0
[M+K]+ 348.17242 177.8
[M+H-H2O]+ 292.20652 169.2
[M+HCOO]- 354.20746 198.0
[M+CH3COO]- 368.22311 214.5
[M+Na-2H]- 330.18393 179.9
[M]+ 309.20871 178.7
[M]- 309.20981 178.7
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.