CID 16727459

N,n'-bis[1-(2-pyridyloxymethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CCC(COC1=CC=CC=N1)NCCNC(CC)COC2=CC=CC=N2
InChI
InChI=1S/C20H30N4O2/c1-3-17(15-25-19-9-5-7-11-23-19)21-13-14-22-18(4-2)16-26-20-10-6-8-12-24-20/h5-12,17-18,21-22H,3-4,13-16H2,1-2H3
InChIKey
UMEFVVLBYIGWQV-UHFFFAOYSA-N
Compound name
N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.23688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24416 187.9
[M+Na]+ 381.22610 189.1
[M-H]- 357.22960 190.0
[M+NH4]+ 376.27070 196.2
[M+K]+ 397.20004 185.5
[M+H-H2O]+ 341.23414 176.3
[M+HCOO]- 403.23508 208.0
[M+CH3COO]- 417.25073 220.8
[M+Na-2H]- 379.21155 191.8
[M]+ 358.23633 190.1
[M]- 358.23743 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.