CID 208942

Etofuradine

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN(C)CCN(CC1=CC2=CC=CC=C2O1)C3=CC=CC=N3
InChI
InChI=1S/C18H21N3O/c1-20(2)11-12-21(18-9-5-6-10-19-18)14-16-13-15-7-3-4-8-17(15)22-16/h3-10,13H,11-12,14H2,1-2H3
InChIKey
WMUOPVGLPLDJIX-UHFFFAOYSA-N
Compound name
N'-(1-benzofuran-2-ylmethyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

295.16846 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.175736 170.6
[M+Na]+ 318.157678 177.2
[M-H]- 294.161184 180.1
[M+NH4]+ 313.202283 186.4
[M+K]+ 334.131618 175.6
[M+H-H2O]+ 278.165720 161.0
[M+HCOO]- 340.166661 196.6
[M+CH3COO]- 354.182311 183.0
[M+Na-2H]- 316.143126 177.2
[M]+ 295.16791142 176.0
[M]- 295.16900858 176.0
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

patents stripe