CID 16073458

Schembl2834505

Structural Information

Molecular Formula
C18H17FN2O3
SMILES
CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H17FN2O3/c1-3-21-13-9-15-12(8-14(13)22)16(18(23)20-2)17(24-15)10-4-6-11(19)7-5-10/h4-9,21-22H,3H2,1-2H3,(H,20,23)
InChIKey
PPPPIEUPMONYPE-UHFFFAOYSA-N
Compound name
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

328.1223 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12958 175.4
[M+Na]+ 351.11152 184.8
[M-H]- 327.11502 182.5
[M+NH4]+ 346.15612 190.2
[M+K]+ 367.08546 180.8
[M+H-H2O]+ 311.11956 167.2
[M+HCOO]- 373.12050 198.6
[M+CH3COO]- 387.13615 213.4
[M+Na-2H]- 349.09697 178.6
[M]+ 328.12175 178.2
[M]- 328.12285 178.2
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

patents stripe