CID 13341963

Methyl 4-amino-3-carbamoylbenzoate

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=CC(=C(C=C1)N)C(=O)N
InChI
InChI=1S/C9H10N2O3/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4H,10H2,1H3,(H2,11,12)
InChIKey
MCQOVGJGDSIYRI-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-carbamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

194.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.2
[M+Na]+ 217.058358 147.7
[M-H]- 193.061864 143.5
[M+NH4]+ 212.102963 158.6
[M+K]+ 233.032298 146.4
[M+H-H2O]+ 177.066400 133.9
[M+HCOO]- 239.067341 164.6
[M+CH3COO]- 253.082991 187.9
[M+Na-2H]- 215.043806 142.8
[M]+ 194.06859142 138.8
[M]- 194.06968858 138.8
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