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]+ 339.217936 183.9
[M+Na]+ 361.199878 189.5
[M-H]- 337.203384 195.0
[M+NH4]+ 356.244483 199.1
[M+K]+ 377.173818 188.0
[M+H-H2O]+ 321.207920 174.4
[M+HCOO]- 383.208861 212.3
[M+CH3COO]- 397.224511 229.4
[M+Na-2H]- 359.185326 188.9
[M]+ 338.21011142 188.9
[M]- 338.21120858 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.