CID 4023989

349396-28-7

Structural Information

Molecular Formula
C18H16N2O7
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H16N2O7/c1-10-14(5-4-6-15(10)20(24)25)16(21)19-13-8-11(17(22)26-2)7-12(9-13)18(23)27-3/h4-9H,1-3H3,(H,19,21)
InChIKey
HVRTWDHQPUCLGO-UHFFFAOYSA-N
Compound name
dimethyl 5-[(2-methyl-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.09576 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10304 182.2
[M+Na]+ 395.08498 187.2
[M-H]- 371.08848 189.2
[M+NH4]+ 390.12958 192.6
[M+K]+ 411.05892 182.1
[M+H-H2O]+ 355.09302 177.9
[M+HCOO]- 417.09396 205.5
[M+CH3COO]- 431.10961 213.2
[M+Na-2H]- 393.07043 184.2
[M]+ 372.09521 184.8
[M]- 372.09631 184.8
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

No patent data available for this compound.