CID 3047441

63605-45-8

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CCC1=C(C2=CC=CC=C2O1)CC(=NCCN3CCOCC3)NO
InChI
InChI=1S/C18H25N3O3/c1-2-16-15(14-5-3-4-6-17(14)24-16)13-18(20-22)19-7-8-21-9-11-23-12-10-21/h3-6,22H,2,7-13H2,1H3,(H,19,20)
InChIKey
JYXQXKHTALMLNI-UHFFFAOYSA-N
Compound name
2-(2-ethyl-1-benzofuran-3-yl)-N-hydroxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

331.1896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 179.7
[M+Na]+ 354.17882 183.9
[M-H]- 330.18232 186.3
[M+NH4]+ 349.22342 191.4
[M+K]+ 370.15276 182.2
[M+H-H2O]+ 314.18686 170.7
[M+HCOO]- 376.18780 199.0
[M+CH3COO]- 390.20345 212.6
[M+Na-2H]- 352.16427 183.7
[M]+ 331.18905 180.7
[M]- 331.19015 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe