CID 217741

39552-05-1

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=C(O2)C(=NC(C)C)C)O
InChI
InChI=1S/C19H28N2O3/c1-12(2)20-10-15(22)11-23-17-7-6-8-18-16(17)9-19(24-18)14(5)21-13(3)4/h6-9,12-13,15,20,22H,10-11H2,1-5H3
InChIKey
AOPSHWJHVZBSED-UHFFFAOYSA-N
Compound name
1-[[2-(C-methyl-N-propan-2-ylcarbonimidoyl)-1-benzofuran-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 185.6
[M+Na]+ 355.199218 190.0
[M-H]- 331.202724 190.5
[M+NH4]+ 350.243823 200.4
[M+K]+ 371.173158 189.0
[M+H-H2O]+ 315.207260 178.3
[M+HCOO]- 377.208201 206.6
[M+CH3COO]- 391.223851 219.0
[M+Na-2H]- 353.184666 185.4
[M]+ 332.20945142 190.9
[M]- 332.21054858 190.9
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