CID 52868

1,6-hexanediamine, n,n'-di-o-veratrylidene-

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C1OC2=CC=CC(=C2O1)C=NCCCCCCN=CC3=C4C(=CC=C3)OCO4
InChI
InChI=1S/C22H24N2O4/c1(3-11-23-13-17-7-5-9-19-21(17)27-15-25-19)2-4-12-24-14-18-8-6-10-20-22(18)28-16-26-20/h5-10,13-14H,1-4,11-12,15-16H2
InChIKey
AWHQBULONRUHLH-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)-N-[6-(1,3-benzodioxol-4-ylmethylideneamino)hexyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 192.6
[M+Na]+ 403.16282 198.0
[M-H]- 379.16632 204.9
[M+NH4]+ 398.20742 204.8
[M+K]+ 419.13676 198.0
[M+H-H2O]+ 363.17086 185.7
[M+HCOO]- 425.17180 214.4
[M+CH3COO]- 439.18745 203.4
[M+Na-2H]- 401.14827 197.2
[M]+ 380.17305 199.9
[M]- 380.17415 199.9
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.