CID 16073457

Schembl2838379

Structural Information

Molecular Formula
C19H18ClFN2O3
SMILES
CCNC1=CC2=C(C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(=C1OC)Cl
InChI
InChI=1S/C19H18ClFN2O3/c1-4-23-12-9-13-14(16(20)18(12)25-3)15(19(24)22-2)17(26-13)10-5-7-11(21)8-6-10/h5-9,23H,4H2,1-3H3,(H,22,24)
InChIKey
BRKMAAMSPRFVJE-UHFFFAOYSA-N
Compound name
4-chloro-6-(ethylamino)-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

376.099 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10628 188.8
[M+Na]+ 399.08822 199.9
[M-H]- 375.09172 197.2
[M+NH4]+ 394.13282 203.6
[M+K]+ 415.06216 194.8
[M+H-H2O]+ 359.09626 181.0
[M+HCOO]- 421.09720 208.5
[M+CH3COO]- 435.11285 223.4
[M+Na-2H]- 397.07367 190.5
[M]+ 376.09845 196.5
[M]- 376.09955 196.5
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.