CID 473611

Ak.71s

Structural Information

Molecular Formula
C30H44N4O
SMILES
CCN(CC)CCCNC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)NCCCN(CC)CC
InChI
InChI=1S/C30H44N4O/c1-5-33(6-2)23-9-21-31-27-15-11-25(12-16-27)29-19-20-30(35-29)26-13-17-28(18-14-26)32-22-10-24-34(7-3)8-4/h11-20,31-32H,5-10,21-24H2,1-4H3
InChIKey
CXFMQOXDESONAM-UHFFFAOYSA-N
Compound name
N-[4-[5-[4-[3-(diethylamino)propylamino]phenyl]furan-2-yl]phenyl]-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

476.3515 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.35878 227.7
[M+Na]+ 499.34072 227.7
[M-H]- 475.34422 238.9
[M+NH4]+ 494.38532 235.6
[M+K]+ 515.31466 224.3
[M+H-H2O]+ 459.34876 215.6
[M+HCOO]- 521.34970 252.7
[M+CH3COO]- 535.36535 257.0
[M+Na-2H]- 497.32617 226.0
[M]+ 476.35095 233.2
[M]- 476.35205 233.2
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.