CID 2307726

5-aminobenzene-1,3-dicarboxamide

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1=C(C=C(C=C1C(=O)N)N)C(=O)N
InChI
InChI=1S/C8H9N3O2/c9-6-2-4(7(10)12)1-5(3-6)8(11)13/h1-3H,9H2,(H2,10,12)(H2,11,13)
InChIKey
UXPIWHPHEGRYLB-UHFFFAOYSA-N
Compound name
5-aminobenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

179.06947 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 136.9
[M+Na]+ 202.058688 144.0
[M-H]- 178.062194 139.8
[M+NH4]+ 197.103293 155.2
[M+K]+ 218.032628 142.1
[M+H-H2O]+ 162.066730 130.5
[M+HCOO]- 224.067671 161.7
[M+CH3COO]- 238.083321 188.2
[M+Na-2H]- 200.044136 139.2
[M]+ 179.06892142 132.1
[M]- 179.07001858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe