CID 3010567

N-[4-[5-(dimethylaminomethylamino)benzofuran-2-yl]phenyl]-n',n'-dimethyl-methanediamine

Structural Information

Molecular Formula
C20H26N4O
SMILES
CN(C)CNC1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)NCN(C)C
InChI
InChI=1S/C20H26N4O/c1-23(2)13-21-17-7-5-15(6-8-17)20-12-16-11-18(22-14-24(3)4)9-10-19(16)25-20/h5-12,21-22H,13-14H2,1-4H3
InChIKey
OMBMWLJOABAXKT-UHFFFAOYSA-N
Compound name
N-[4-[5-[(dimethylamino)methylamino]-1-benzofuran-2-yl]phenyl]-N',N'-dimethylmethanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.21066 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 183.9
[M+Na]+ 361.19988 189.5
[M-H]- 337.20338 195.0
[M+NH4]+ 356.24448 199.1
[M+K]+ 377.17382 188.0
[M+H-H2O]+ 321.20792 174.4
[M+HCOO]- 383.20886 212.3
[M+CH3COO]- 397.22451 229.4
[M+Na-2H]- 359.18533 188.9
[M]+ 338.21011 188.9
[M]- 338.21121 188.9
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.