CID 2327

Benserazide

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₅

SMILES

C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O

InChI

InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)

InChIKey

BNQDCRGUHNALGH-UHFFFAOYSA-N

Compound name

2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1256
References: 13848
Patents: 257.10117 Da
Monoisotopic Mass: -1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.10845	154.7
[M+Na]+	280.09039	159.3
[M-H]-	256.09389	152.9
[M+NH4]+	275.13499	167.5
[M+K]+	296.06433	157.1
[M+H-H2O]+	240.09843	147.9
[M+HCOO]-	302.09937	174.3
[M+CH3COO]-	316.11502	195.2
[M+Na-2H]-	278.07584	155.6
[M]+	257.10062	150.4
[M]-	257.10172	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe