CID 207546

3-(dibutylamino)-3'-ethyl-4'-hexyloxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCCCOC1=C(C=C(C=C1)C(=O)CCN(CCCC)CCCC)CC
InChI
InChI=1S/C25H43NO2/c1-5-9-12-13-20-28-25-15-14-23(21-22(25)8-4)24(27)16-19-26(17-10-6-2)18-11-7-3/h14-15,21H,5-13,16-20H2,1-4H3
InChIKey
NSUNYQYRNIYWNZ-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-(3-ethyl-4-hexoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.32938 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 206.4
[M+Na]+ 412.31860 208.0
[M-H]- 388.32210 209.0
[M+NH4]+ 407.36320 218.5
[M+K]+ 428.29254 204.5
[M+H-H2O]+ 372.32664 197.3
[M+HCOO]- 434.32758 226.7
[M+CH3COO]- 448.34323 233.8
[M+Na-2H]- 410.30405 202.8
[M]+ 389.32883 214.9
[M]- 389.32993 214.9
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.