CID 289386

Mls003106342

Structural Information

Molecular Formula
C19H18N2O6
SMILES
COC(=O)C1=CC(=CC(=C1)NC(=O)CC(=O)C2=CC(=CC=C2)N)C(=O)OC
InChI
InChI=1S/C19H18N2O6/c1-26-18(24)12-6-13(19(25)27-2)9-15(8-12)21-17(23)10-16(22)11-4-3-5-14(20)7-11/h3-9H,10,20H2,1-2H3,(H,21,23)
InChIKey
BYMQMHTUZKTSSK-UHFFFAOYSA-N
Compound name
dimethyl 5-[[3-(3-aminophenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

370.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12378 184.9
[M+Na]+ 393.10572 193.8
[M+NH4]+ 388.15032 188.3
[M+K]+ 409.07966 190.8
[M-H]- 369.10922 186.3
[M+Na-2H]- 391.09117 189.0
[M]+ 370.11595 186.0
[M]- 370.11705 186.0
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

No patent data available for this compound.