CID 173807

61470-08-4

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCC1=C2C(=C(C=C1)O)C=C(O2)C(CNC(C)(C)C)O
InChI
InChI=1S/C16H23NO3/c1-5-10-6-7-12(18)11-8-14(20-15(10)11)13(19)9-17-16(2,3)4/h6-8,13,17-19H,5,9H2,1-4H3
InChIKey
VWEQAYFMBKZBLK-UHFFFAOYSA-N
Compound name
2-[2-(tert-butylamino)-1-hydroxyethyl]-7-ethyl-1-benzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.9
[M+Na]+ 300.15702 174.6
[M-H]- 276.16052 170.1
[M+NH4]+ 295.20162 183.7
[M+K]+ 316.13096 172.1
[M+H-H2O]+ 260.16506 161.7
[M+HCOO]- 322.16600 186.2
[M+CH3COO]- 336.18165 199.8
[M+Na-2H]- 298.14247 171.0
[M]+ 277.16725 170.7
[M]- 277.16835 170.7
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

No patent data available for this compound.