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

2152
Patents

225.07495 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 143.8
[M+Na]+ 248.06417 149.3
[M-H]- 224.06767 145.9
[M+NH4]+ 243.10877 159.5
[M+K]+ 264.03811 143.3
[M+H-H2O]+ 208.07221 141.8
[M+HCOO]- 270.07315 169.0
[M+CH3COO]- 284.08880 185.2
[M+Na-2H]- 246.04962 149.8
[M]+ 225.07440 140.3
[M]- 225.07550 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