CID 10171904

103188-49-4

Structural Information

Molecular Formula
C17H17NO5
SMILES
C1=CC(=C(C=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C17H17NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-6,9-10,19-22H,7-8H2,(H,18,23)/b6-3+
InChIKey
FSMGGLPUXCKRGT-ZZXKWVIFSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

70
Patents

315.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 172.0
[M+Na]+ 338.09992 178.1
[M-H]- 314.10342 173.8
[M+NH4]+ 333.14452 183.5
[M+K]+ 354.07386 172.9
[M+H-H2O]+ 298.10796 164.6
[M+HCOO]- 360.10890 190.6
[M+CH3COO]- 374.12455 200.3
[M+Na-2H]- 336.08537 173.0
[M]+ 315.11015 170.6
[M]- 315.11125 170.6
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