CID 25245053

N-trans-sinapoyltyramine

Structural Information

Molecular Formula
C19H21NO5
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCC2=CC=C(C=C2)O
InChI
InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+
InChIKey
IEDBNTAKVGBZEP-VMPITWQZSA-N
Compound name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

163
Patents

343.14197 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14925 180.4
[M+Na]+ 366.13119 186.5
[M-H]- 342.13469 184.6
[M+NH4]+ 361.17579 192.2
[M+K]+ 382.10513 182.4
[M+H-H2O]+ 326.13923 172.1
[M+HCOO]- 388.14017 201.4
[M+CH3COO]- 402.15582 210.5
[M+Na-2H]- 364.11664 181.3
[M]+ 343.14142 183.3
[M]- 343.14252 183.3
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