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 196.3
[M+Na]+ 407.19412 197.8
[M-H]- 383.19762 204.9
[M+NH4]+ 402.23872 202.7
[M+K]+ 423.16806 198.9
[M+H-H2O]+ 367.20216 186.2
[M+HCOO]- 429.20310 208.2
[M+CH3COO]- 443.21875 203.7
[M+Na-2H]- 405.17957 201.4
[M]+ 384.20435 196.0
[M]- 384.20545 196.0
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.