CID 5278574

Chembl65733

Structural Information

Molecular Formula
C15H13FN2O3
SMILES
CN1C=C(C=C1/C=C/C(=O)NO)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FN2O3/c1-18-9-11(8-13(18)6-7-14(19)17-21)15(20)10-2-4-12(16)5-3-10/h2-9,21H,1H3,(H,17,19)/b7-6+
InChIKey
USLLFRDCVGESHH-VOTSOKGWSA-N
Compound name
(E)-3-[4-(4-fluorobenzoyl)-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.09103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09831 163.9
[M+Na]+ 311.08025 171.6
[M-H]- 287.08375 167.3
[M+NH4]+ 306.12485 179.0
[M+K]+ 327.05419 167.1
[M+H-H2O]+ 271.08829 155.4
[M+HCOO]- 333.08923 185.1
[M+CH3COO]- 347.10488 200.3
[M+Na-2H]- 309.06570 163.9
[M]+ 288.09048 162.9
[M]- 288.09158 162.9
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.