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

11
Patents

209.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 141.5
[M+Na]+ 232.06927 147.6
[M-H]- 208.07277 145.0
[M+NH4]+ 227.11387 158.6
[M+K]+ 248.04321 141.9
[M+H-H2O]+ 192.07731 139.5
[M+HCOO]- 254.07825 168.0
[M+CH3COO]- 268.09390 185.6
[M+Na-2H]- 230.05472 147.7
[M]+ 209.07950 138.5
[M]- 209.08060 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