CID 3049179

Lr 600

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC1(OC2=CC=CC=C2O1)CCNCCNCCC3(OC4=CC=CC=C4O3)C
InChI
InChI=1S/C22H28N2O4/c1-21(25-17-7-3-4-8-18(17)26-21)11-13-23-15-16-24-14-12-22(2)27-19-9-5-6-10-20(19)28-22/h3-10,23-24H,11-16H2,1-2H3
InChIKey
AEHKMTCEHZPOBO-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(2-methyl-1,3-benzodioxol-2-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 191.6
[M+Na]+ 407.19412 201.9
[M+NH4]+ 402.23872 201.6
[M+K]+ 423.16806 195.5
[M-H]- 383.19762 201.0
[M+Na-2H]- 405.17957 196.4
[M]+ 384.20435 196.1
[M]- 384.20545 196.1
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.