CID 3059238

76267-01-1

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CNC(=O)N(C)C(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H13N3O4/c1-12-10(17)14(2)11(18)13-8-6-4-3-5-7(8)9(15)16/h3-6H,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKey
NFTAPASXCAZNOZ-UHFFFAOYSA-N
Compound name
2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.0906 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 155.2
[M+Na]+ 274.07982 159.8
[M-H]- 250.08332 159.0
[M+NH4]+ 269.12442 171.0
[M+K]+ 290.05376 160.1
[M+H-H2O]+ 234.08786 147.8
[M+HCOO]- 296.08880 179.6
[M+CH3COO]- 310.10445 200.5
[M+Na-2H]- 272.06527 157.6
[M]+ 251.09005 154.6
[M]- 251.09115 154.6
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