CID 206668

28396-68-1

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1=C(OC2=C1C(=CC=C2)OCC(CNC(C)C)O)C
InChI
InChI=1S/C16H23NO3/c1-10(2)17-8-13(18)9-19-14-6-5-7-15-16(14)11(3)12(4)20-15/h5-7,10,13,17-18H,8-9H2,1-4H3
InChIKey
CWXQPQGCKAUAEY-UHFFFAOYSA-N
Compound name
1-[(2,3-dimethyl-1-benzofuran-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 167.1
[M+Na]+ 300.15702 174.5
[M-H]- 276.16052 171.4
[M+NH4]+ 295.20162 184.3
[M+K]+ 316.13096 172.8
[M+H-H2O]+ 260.16506 161.0
[M+HCOO]- 322.16600 188.5
[M+CH3COO]- 336.18165 203.3
[M+Na-2H]- 298.14247 169.4
[M]+ 277.16725 172.7
[M]- 277.16835 172.7
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