CID 3708922

4-ethylamino-3-nitrobenzamide

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CCNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c1-2-11-7-4-3-6(9(10)13)5-8(7)12(14)15/h3-5,11H,2H2,1H3,(H2,10,13)
InChIKey
JJDONAVASZMYRM-UHFFFAOYSA-N
Compound name
4-(ethylamino)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 141.5
[M+Na]+ 232.069268 147.6
[M-H]- 208.072774 145.0
[M+NH4]+ 227.113873 158.6
[M+K]+ 248.043208 141.9
[M+H-H2O]+ 192.077310 139.5
[M+HCOO]- 254.078251 168.0
[M+CH3COO]- 268.093901 185.6
[M+Na-2H]- 230.054716 147.7
[M]+ 209.07950142 138.5
[M]- 209.08059858 138.5
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