CID 10068207

Fr-167356

Structural Information

Molecular Formula
C19H17Cl2NO3
SMILES
CC1=C(C2=C(O1)C(=CC=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(C)(C)O
InChI
InChI=1S/C19H17Cl2NO3/c1-10-16(19(2,3)24)11-6-4-9-14(17(11)25-10)22-18(23)15-12(20)7-5-8-13(15)21/h4-9,24H,1-3H3,(H,22,23)
InChIKey
GCAOVMKRBUCSET-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

377.05856 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06584 188.2
[M+Na]+ 400.04778 199.5
[M-H]- 376.05128 195.9
[M+NH4]+ 395.09238 203.0
[M+K]+ 416.02172 193.5
[M+H-H2O]+ 360.05582 183.1
[M+HCOO]- 422.05676 199.8
[M+CH3COO]- 436.07241 216.6
[M+Na-2H]- 398.03323 190.5
[M]+ 377.05801 196.2
[M]- 377.05911 196.2
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

No patent data available for this compound.