CID 90486705

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

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)C=NC3=CC(=CC=C3)N=CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C22H16N2O4/c1-2-17(23-11-15-4-6-19-21(8-15)27-13-25-19)10-18(3-1)24-12-16-5-7-20-22(9-16)28-14-26-20/h1-12H,13-14H2
InChIKey
AYXVKPHHRUAJNK-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-[3-(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 185.5
[M+Na]+ 395.10022 193.3
[M-H]- 371.10372 202.0
[M+NH4]+ 390.14482 197.9
[M+K]+ 411.07416 193.3
[M+H-H2O]+ 355.10826 178.6
[M+HCOO]- 417.10920 208.6
[M+CH3COO]- 431.12485 197.8
[M+Na-2H]- 393.08567 191.1
[M]+ 372.11045 190.9
[M]- 372.11155 190.9
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.