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

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 185.6
[M+Na]+ 355.19922 190.0
[M-H]- 331.20272 190.5
[M+NH4]+ 350.24382 200.4
[M+K]+ 371.17316 189.0
[M+H-H2O]+ 315.20726 178.3
[M+HCOO]- 377.20820 206.6
[M+CH3COO]- 391.22385 219.0
[M+Na-2H]- 353.18467 185.4
[M]+ 332.20945 190.9
[M]- 332.21055 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