CID 383149

Nsc671190

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1=CC=C(C=C1)CCNC(=O)CCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C17H19NO3/c19-15-8-6-14(12-16(15)20)7-9-17(21)18-11-10-13-4-2-1-3-5-13/h1-6,8,12,19-20H,7,9-11H2,(H,18,21)
InChIKey
AQPITNHTVNCELU-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.7
[M+Na]+ 308.12572 171.9
[M-H]- 284.12922 170.5
[M+NH4]+ 303.17032 180.6
[M+K]+ 324.09966 167.3
[M+H-H2O]+ 268.13376 158.9
[M+HCOO]- 330.13470 187.9
[M+CH3COO]- 344.15035 198.9
[M+Na-2H]- 306.11117 170.0
[M]+ 285.13595 166.1
[M]- 285.13705 166.1
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

No patent data available for this compound.