CID 21909558

Hc yellow no. 15

Structural Information

Molecular Formula

C₉H₁₁N₃O₄

SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])NCCO

InChI

InChI=1S/C9H11N3O4/c10-9(14)6-1-2-7(11-3-4-13)8(5-6)12(15)16/h1-2,5,11,13H,3-4H2,(H2,10,14)

InChIKey

HWIFOTHJSSDGGC-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethylamino)-3-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2133
Patents: 225.07495 Da
Monoisotopic Mass: 0.5
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]+	226.08223	145.6
[M+Na]+	248.06417	155.1
[M+NH4]+	243.10877	151.4
[M+K]+	264.03811	154.1
[M-H]-	224.06767	147.7
[M+Na-2H]-	246.04962	149.5
[M]+	225.07440	146.9
[M]-	225.07550	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe