CID 372929

Nsc648641

Structural Information

Molecular Formula
C15H14N2O8
SMILES
COC(=O)C(C(=O)C(=O)NC1=CC=CC=C1C(=O)N)C(=O)C(=O)OC
InChI
InChI=1S/C15H14N2O8/c1-24-14(22)9(11(19)15(23)25-2)10(18)13(21)17-8-6-4-3-5-7(8)12(16)20/h3-6,9H,1-2H3,(H2,16,20)(H,17,21)
InChIKey
NZDBOPVVNCJSDC-UHFFFAOYSA-N
Compound name
dimethyl 2-[2-(2-carbamoylanilino)-2-oxoacetyl]-3-oxobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.075 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08228 173.6
[M+Na]+ 373.06422 176.7
[M-H]- 349.06772 176.3
[M+NH4]+ 368.10882 184.4
[M+K]+ 389.03816 178.6
[M+H-H2O]+ 333.07226 165.9
[M+HCOO]- 395.07320 193.5
[M+CH3COO]- 409.08885 217.1
[M+Na-2H]- 371.04967 170.1
[M]+ 350.07445 176.2
[M]- 350.07555 176.2
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

No patent data available for this compound.