CID 16119668

Dihydro-n-caffeoyltyramine

Structural Information

Molecular Formula
C17H19NO4
SMILES
C1=CC(=CC=C1CCNC(=O)CCC2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C17H19NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-3,5-7,11,19-21H,4,8-10H2,(H,18,22)
InChIKey
RIYORZPRGANLCW-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

52
Patents

301.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 169.8
[M+Na]+ 324.12062 175.3
[M-H]- 300.12412 172.5
[M+NH4]+ 319.16522 182.4
[M+K]+ 340.09456 170.6
[M+H-H2O]+ 284.12866 162.1
[M+HCOO]- 346.12960 189.6
[M+CH3COO]- 360.14525 200.1
[M+Na-2H]- 322.10607 171.9
[M]+ 301.13085 169.1
[M]- 301.13195 169.1
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