CID 9568626

3,4-methylenedioxycarbanilic acid, ester with benzaldehyde oxime

Structural Information

Molecular Formula
C15H12N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)O/N=C/C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O4/c18-15(21-16-9-11-4-2-1-3-5-11)17-12-6-7-13-14(8-12)20-10-19-13/h1-9H,10H2,(H,17,18)/b16-9+
InChIKey
IKDJWSFKJOKTRQ-CXUHLZMHSA-N
Compound name
[(E)-benzylideneamino] N-(1,3-benzodioxol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 161.4
[M+Na]+ 307.06892 167.8
[M-H]- 283.07242 171.5
[M+NH4]+ 302.11352 176.8
[M+K]+ 323.04286 167.7
[M+H-H2O]+ 267.07696 153.6
[M+HCOO]- 329.07790 186.5
[M+CH3COO]- 343.09355 202.5
[M+Na-2H]- 305.05437 169.4
[M]+ 284.07915 164.4
[M]- 284.08025 164.4
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.