CID 74346580

N-trans-p-coumaroyl-dopa

Structural Information

Molecular Formula
C18H17NO6
SMILES
C1=CC(=CC=C1C=CC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)O
InChI
InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)4-8-17(23)19-14(18(24)25)9-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)
InChIKey
UUXSHXGLOWJTDV-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

343.1056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11288 177.9
[M+Na]+ 366.09482 182.1
[M-H]- 342.09832 179.2
[M+NH4]+ 361.13942 187.5
[M+K]+ 382.06876 178.0
[M+H-H2O]+ 326.10286 170.2
[M+HCOO]- 388.10380 194.5
[M+CH3COO]- 402.11945 205.6
[M+Na-2H]- 364.08027 176.9
[M]+ 343.10505 175.9
[M]- 343.10615 175.9
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.