CID 207544

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

Structural Information

Molecular Formula
C24H41NO2
SMILES
CCCCCOC1=C(C=C(C=C1)C(=O)CCN(CCCC)CCCC)CC
InChI
InChI=1S/C24H41NO2/c1-5-9-12-19-27-24-14-13-22(20-21(24)8-4)23(26)15-18-25(16-10-6-2)17-11-7-3/h13-14,20H,5-12,15-19H2,1-4H3
InChIKey
QQXGWUSHWRGNLP-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1-(3-ethyl-4-pentoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.31372 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.32100 201.9
[M+Na]+ 398.30294 203.9
[M-H]- 374.30644 204.7
[M+NH4]+ 393.34754 214.6
[M+K]+ 414.27688 200.6
[M+H-H2O]+ 358.31098 193.0
[M+HCOO]- 420.31192 222.5
[M+CH3COO]- 434.32757 230.8
[M+Na-2H]- 396.28839 198.8
[M]+ 375.31317 210.1
[M]- 375.31427 210.1
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

No patent data available for this compound.