CID 5337686

N,n'-bis(piperonylidene)hydrazine

Structural Information

Molecular Formula
C16H12N2O4
SMILES
C1OC2=C(O1)C=CC(=C2)/C=N/N=C/C3=CC4=C(OCO4)C=C3
InChI
InChI=1S/C16H12N2O4/c1-3-13-15(21-9-19-13)5-11(1)7-17-18-8-12-2-4-14-16(6-12)22-10-20-14/h1-8H,9-10H2/b17-7+,18-8+
InChIKey
MBQLJZPLRISBPE-ZEELXFFVSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

296.0797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 165.6
[M+Na]+ 319.06892 178.2
[M+NH4]+ 314.11352 174.1
[M+K]+ 335.04286 175.8
[M-H]- 295.07242 176.0
[M+Na-2H]- 317.05437 169.9
[M]+ 296.07915 170.4
[M]- 296.08025 170.4
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

patents stripe