CID 16073435

Schembl2846119

Structural Information

Molecular Formula
C18H16ClFN2O3
SMILES
CCNC1=CC2=C(C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(=C1O)Cl
InChI
InChI=1S/C18H16ClFN2O3/c1-3-22-11-8-12-13(15(19)16(11)23)14(18(24)21-2)17(25-12)9-4-6-10(20)7-5-9/h4-8,22-23H,3H2,1-2H3,(H,21,24)
InChIKey
IIWOZJCPDVTWDO-UHFFFAOYSA-N
Compound name
4-chloro-6-(ethylamino)-2-(4-fluorophenyl)-5-hydroxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.08334 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09062 183.8
[M+Na]+ 385.07256 194.9
[M-H]- 361.07606 191.1
[M+NH4]+ 380.11716 198.5
[M+K]+ 401.04650 189.4
[M+H-H2O]+ 345.08060 176.6
[M+HCOO]- 407.08154 202.5
[M+CH3COO]- 421.09719 218.3
[M+Na-2H]- 383.05801 185.8
[M]+ 362.08279 189.5
[M]- 362.08389 189.5
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

patents stripe