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
2
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]+ 345.180876 182.8
[M+Na]+ 367.162818 185.8
[M-H]- 343.166324 184.7
[M+NH4]+ 362.207423 192.7
[M+K]+ 383.136758 181.9
[M+H-H2O]+ 327.170860 174.6
[M+HCOO]- 389.171801 200.3
[M+CH3COO]- 403.187451 213.8
[M+Na-2H]- 365.148266 180.9
[M]+ 344.17305142 180.0
[M]- 344.17414858 180.0
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.