CID 63356706

4-amino-3-ethoxybenzamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC1=C(C=CC(=C1)C(=O)N)N
InChI
InChI=1S/C9H12N2O2/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5H,2,10H2,1H3,(H2,11,12)
InChIKey
ITNGANDYYCLWII-UHFFFAOYSA-N
Compound name
4-amino-3-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

180.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.9
[M+Na]+ 203.079088 145.4
[M-H]- 179.082594 141.1
[M+NH4]+ 198.123693 157.1
[M+K]+ 219.053028 143.7
[M+H-H2O]+ 163.087130 131.7
[M+HCOO]- 225.088071 162.9
[M+CH3COO]- 239.103721 186.3
[M+Na-2H]- 201.064536 141.8
[M]+ 180.08932142 136.6
[M]- 180.09041858 136.6
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