CID 156067

Propylbutyldopamine hydrochloride

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCCCN(CCC)CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C15H25NO2/c1-3-5-10-16(9-4-2)11-8-13-6-7-14(17)15(18)12-13/h6-7,12,17-18H,3-5,8-11H2,1-2H3
InChIKey
RGTAZIDCEVLAOJ-UHFFFAOYSA-N
Compound name
4-[2-[butyl(propyl)amino]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

10
Patents

251.18852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 162.4
[M+Na]+ 274.177738 167.4
[M-H]- 250.181244 164.1
[M+NH4]+ 269.222343 178.9
[M+K]+ 290.151678 164.6
[M+H-H2O]+ 234.185780 155.6
[M+HCOO]- 296.186721 183.8
[M+CH3COO]- 310.202371 198.9
[M+Na-2H]- 272.163186 164.4
[M]+ 251.18797142 164.8
[M]- 251.18906858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe