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

2762
Patents

225.07495 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.082226 143.8
[M+Na]+ 248.064168 149.3
[M-H]- 224.067674 145.9
[M+NH4]+ 243.108773 159.5
[M+K]+ 264.038108 143.3
[M+H-H2O]+ 208.072210 141.8
[M+HCOO]- 270.073151 169.0
[M+CH3COO]- 284.088801 185.2
[M+Na-2H]- 246.049616 149.8
[M]+ 225.07440142 140.3
[M]- 225.07549858 140.3
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

patents stripe