CID 461732

178869-94-8

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)Cl)COC(C)(C)C
InChI
InChI=1S/C17H20ClNO3/c1-11-14(7-8-21-11)16(20)19-13-5-6-15(18)12(9-13)10-22-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,20)
InChIKey
IRWWPMAJFGDAIF-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.11316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 176.7
[M+Na]+ 344.10238 185.1
[M-H]- 320.10588 184.7
[M+NH4]+ 339.14698 192.7
[M+K]+ 360.07632 181.8
[M+H-H2O]+ 304.11042 170.8
[M+HCOO]- 366.11136 194.6
[M+CH3COO]- 380.12701 208.3
[M+Na-2H]- 342.08783 179.1
[M]+ 321.11261 183.3
[M]- 321.11371 183.3
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.