CID 2796330

Ns00016601

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)NN=CC2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C18H17N3O4/c1-11-3-5-14(7-12(11)2)20-17(22)18(23)21-19-9-13-4-6-15-16(8-13)25-10-24-15/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
ANSCFUXYJURLIJ-UHFFFAOYSA-N
Compound name
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(3,4-dimethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.12192 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.129196 181.1
[M+Na]+ 362.111138 187.1
[M-H]- 338.114644 191.6
[M+NH4]+ 357.155743 194.3
[M+K]+ 378.085078 186.4
[M+H-H2O]+ 322.119180 172.9
[M+HCOO]- 384.120121 205.2
[M+CH3COO]- 398.135771 218.9
[M+Na-2H]- 360.096586 185.4
[M]+ 339.12137142 183.9
[M]- 339.12246858 183.9
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.