CID 56052

Ractopamine

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3
InChIKey
YJQZYXCXBBCEAQ-UHFFFAOYSA-N
Compound name
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

496
References

3909
Patents

301.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.5
[M+Na]+ 324.15702 176.1
[M-H]- 300.16052 174.6
[M+NH4]+ 319.20162 184.8
[M+K]+ 340.13096 171.6
[M+H-H2O]+ 284.16506 164.8
[M+HCOO]- 346.16600 190.6
[M+CH3COO]- 360.18165 202.0
[M+Na-2H]- 322.14247 173.5
[M]+ 301.16725 170.5
[M]- 301.16835 170.5
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.