CID 5340774

352012-77-2

Structural Information

Molecular Formula
C17H15N3O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H15N3O5/c1-23-13-4-2-3-12(8-13)19-16(21)17(22)20-18-9-11-5-6-14-15(7-11)25-10-24-14/h2-9H,10H2,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKey
GBORKTDHYOITRN-GIJQJNRQSA-N
Compound name
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

341.10117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 177.6
[M+Na]+ 364.09039 182.8
[M-H]- 340.09389 187.7
[M+NH4]+ 359.13499 190.2
[M+K]+ 380.06433 183.0
[M+H-H2O]+ 324.09843 169.1
[M+HCOO]- 386.09937 202.2
[M+CH3COO]- 400.11502 216.9
[M+Na-2H]- 362.07584 183.4
[M]+ 341.10062 181.0
[M]- 341.10172 181.0
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.