CID 9568626

Benzaldehyde, o-((1,3-benzodioxol-5-yl)carbamoyl)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]+ 285.086976 161.4
[M+Na]+ 307.068918 167.8
[M-H]- 283.072424 171.5
[M+NH4]+ 302.113523 176.8
[M+K]+ 323.042858 167.7
[M+H-H2O]+ 267.076960 153.6
[M+HCOO]- 329.077901 186.5
[M+CH3COO]- 343.093551 202.5
[M+Na-2H]- 305.054366 169.4
[M]+ 284.07915142 164.4
[M]- 284.08024858 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.