CID 3053082

69494-09-3

Structural Information

Molecular Formula
C21H27NO
SMILES
CCN(CC)CCCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO/c1-3-22(4-2)17-11-16-20(18-12-7-5-8-13-18)21(23)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3
InChIKey
SJIXSYGQKDYDLU-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1,2-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 179.3
[M+Na]+ 332.19848 181.7
[M-H]- 308.20198 185.7
[M+NH4]+ 327.24308 193.5
[M+K]+ 348.17242 178.3
[M+H-H2O]+ 292.20652 170.0
[M+HCOO]- 354.20746 201.1
[M+CH3COO]- 368.22311 214.1
[M+Na-2H]- 330.18393 180.6
[M]+ 309.20871 180.7
[M]- 309.20981 180.7
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.