CID 137553862

Chebi:143443

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)O
InChI
InChI=1S/C19H24N2O4/c1-12(7-8-13-5-3-2-4-6-13)21-11-17(23)14-9-15(19(20)25)18(24)16(22)10-14/h2-6,9-10,12,17,21-24H,7-8,11H2,1H3,(H2,20,25)
InChIKey
VGVHJWOUAFEHHA-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 184.2
[M+Na]+ 367.16282 192.6
[M+NH4]+ 362.20742 188.6
[M+K]+ 383.13676 188.8
[M-H]- 343.16632 186.0
[M+Na-2H]- 365.14827 187.8
[M]+ 344.17305 185.4
[M]- 344.17415 185.4
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.