CID 3051001

67238-67-9

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC(C1COC2=CC=CC=C2O1)NCCNC(C)C3COC4=CC=CC=C4O3
InChI
InChI=1S/C22H28N2O4/c1-15(21-13-25-17-7-3-5-9-19(17)27-21)23-11-12-24-16(2)22-14-26-18-8-4-6-10-20(18)28-22/h3-10,15-16,21-24H,11-14H2,1-2H3
InChIKey
KJYJRKOAKJOFBK-UHFFFAOYSA-N
Compound name
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 197.9
[M+Na]+ 407.19412 209.3
[M+NH4]+ 402.23872 205.2
[M+K]+ 423.16806 203.1
[M-H]- 383.19762 208.6
[M+Na-2H]- 405.17957 200.5
[M]+ 384.20435 202.5
[M]- 384.20545 202.5
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.