CID 217740

2-(1-isopropylimino)ethyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=NC(C)C)C)O
InChI
InChI=1S/C19H28N2O3/c1-12(2)20-10-16(22)11-23-17-8-6-7-15-9-18(24-19(15)17)14(5)21-13(3)4/h6-9,12-13,16,20,22H,10-11H2,1-5H3
InChIKey
UKZDLWGAECFGQA-UHFFFAOYSA-N
Compound name
1-[[2-(C-methyl-N-propan-2-ylcarbonimidoyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 182.9
[M+Na]+ 355.19922 191.3
[M+NH4]+ 350.24382 188.7
[M+K]+ 371.17316 188.6
[M-H]- 331.20272 185.6
[M+Na-2H]- 353.18467 184.9
[M]+ 332.20945 184.5
[M]- 332.21055 184.5
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