CID 3053529

Tyramine, n-phenethyl-n-propyl-, hydrochloride

Structural Information

Molecular Formula
C19H25NO
SMILES
CCCN(CCC1=CC=CC=C1)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C19H25NO/c1-2-14-20(15-12-17-6-4-3-5-7-17)16-13-18-8-10-19(21)11-9-18/h3-11,21H,2,12-16H2,1H3
InChIKey
ZMMHMRRGUZWVKQ-UHFFFAOYSA-N
Compound name
4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.200876 170.3
[M+Na]+ 306.182818 174.5
[M-H]- 282.186324 176.0
[M+NH4]+ 301.227423 185.5
[M+K]+ 322.156758 170.3
[M+H-H2O]+ 266.190860 161.7
[M+HCOO]- 328.191801 193.2
[M+CH3COO]- 342.207451 205.9
[M+Na-2H]- 304.168266 174.1
[M]+ 283.19305142 171.6
[M]- 283.19414858 171.6
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.