CID 6297773

Nsc631666

Structural Information

Molecular Formula
C19H20N4O6
SMILES
COC1=CC=C(C=C1)NC(=O)CC/C(=N/NC(=O)C(=O)N)/CC(=O)C2=CC=CO2
InChI
InChI=1S/C19H20N4O6/c1-28-14-7-4-12(5-8-14)21-17(25)9-6-13(22-23-19(27)18(20)26)11-15(24)16-3-2-10-29-16/h2-5,7-8,10H,6,9,11H2,1H3,(H2,20,26)(H,21,25)(H,23,27)/b22-13-
InChIKey
PJNJBPXCAPECFC-XKZIYDEJSA-N
Compound name
N'-[(Z)-[1-(furan-2-yl)-6-(4-methoxyanilino)-1,6-dioxohexan-3-ylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13828 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14556 195.6
[M+Na]+ 423.12750 196.8
[M-H]- 399.13100 203.3
[M+NH4]+ 418.17210 204.8
[M+K]+ 439.10144 197.5
[M+H-H2O]+ 383.13554 185.7
[M+HCOO]- 445.13648 220.0
[M+CH3COO]- 459.15213 231.6
[M+Na-2H]- 421.11295 194.5
[M]+ 400.13773 197.5
[M]- 400.13883 197.5
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.