CID 49380

3-diethylamino-1-(2,5-dimethoxyphenyl)-1-butanol hydrochloride

Structural Information

Molecular Formula
C16H27NO3
SMILES
CCN(CC)C(C)CC(C1=C(C=CC(=C1)OC)OC)O
InChI
InChI=1S/C16H27NO3/c1-6-17(7-2)12(3)10-15(18)14-11-13(19-4)8-9-16(14)20-5/h8-9,11-12,15,18H,6-7,10H2,1-5H3
InChIKey
KVRGFICNQYRFFG-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(2,5-dimethoxyphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20638 170.1
[M+Na]+ 304.18832 174.5
[M-H]- 280.19182 173.2
[M+NH4]+ 299.23292 185.9
[M+K]+ 320.16226 174.1
[M+H-H2O]+ 264.19636 162.9
[M+HCOO]- 326.19730 190.9
[M+CH3COO]- 340.21295 208.3
[M+Na-2H]- 302.17377 169.6
[M]+ 281.19855 175.0
[M]- 281.19965 175.0
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.