CID 473610

Ak.58s

Structural Information

Molecular Formula
C28H40N4O
SMILES
CCN(C)CCCNC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)NCCCN(C)CC
InChI
InChI=1S/C28H40N4O/c1-5-31(3)21-7-19-29-25-13-9-23(10-14-25)27-17-18-28(33-27)24-11-15-26(16-12-24)30-20-8-22-32(4)6-2/h9-18,29-30H,5-8,19-22H2,1-4H3
InChIKey
TXRSWAQRSGRSFA-UHFFFAOYSA-N
Compound name
N'-ethyl-N-[4-[5-[4-[3-[ethyl(methyl)amino]propylamino]phenyl]furan-2-yl]phenyl]-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.32022 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.32750 219.0
[M+Na]+ 471.30944 219.9
[M-H]- 447.31294 230.6
[M+NH4]+ 466.35404 228.1
[M+K]+ 487.28338 216.9
[M+H-H2O]+ 431.31748 207.2
[M+HCOO]- 493.31842 244.8
[M+CH3COO]- 507.33407 251.2
[M+Na-2H]- 469.29489 218.3
[M]+ 448.31967 223.8
[M]- 448.32077 223.8
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.