CID 52868

74038-52-1

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]+ 381.180876 192.6
[M+Na]+ 403.162818 198.0
[M-H]- 379.166324 204.9
[M+NH4]+ 398.207423 204.8
[M+K]+ 419.136758 198.0
[M+H-H2O]+ 363.170860 185.7
[M+HCOO]- 425.171801 214.4
[M+CH3COO]- 439.187451 203.4
[M+Na-2H]- 401.148266 197.2
[M]+ 380.17305142 199.9
[M]- 380.17414858 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.