CID 3051001

Brn 1332332

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]+ 385.212176 196.3
[M+Na]+ 407.194118 197.8
[M-H]- 383.197624 204.9
[M+NH4]+ 402.238723 202.7
[M+K]+ 423.168058 198.9
[M+H-H2O]+ 367.202160 186.2
[M+HCOO]- 429.203101 208.2
[M+CH3COO]- 443.218751 203.7
[M+Na-2H]- 405.179566 201.4
[M]+ 384.20435142 196.0
[M]- 384.20544858 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.