CID 90486704

N(1),n(2)-bis(1,3-benzodioxol-5-ylmethylene)-1,2-benzenediamine

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC=C3N=CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C22H16N2O4/c1-2-4-18(24-12-16-6-8-20-22(10-16)28-14-26-20)17(3-1)23-11-15-5-7-19-21(9-15)27-13-25-19/h1-12H,13-14H2
InChIKey
CMORAHXAUNARGG-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 186.6
[M+Na]+ 395.10022 201.2
[M+NH4]+ 390.14482 195.2
[M+K]+ 411.07416 197.2
[M-H]- 371.10372 199.6
[M+Na-2H]- 393.08567 192.9
[M]+ 372.11045 192.6
[M]- 372.11155 192.6
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.