CID 11381449

852475-26-4

Structural Information

Molecular Formula
C17H15FN2O3
SMILES
CN1C=C(C=C1/C=C/C(=O)NO)/C=C/C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C17H15FN2O3/c1-20-11-12(9-15(20)6-8-17(22)19-23)5-7-16(21)13-3-2-4-14(18)10-13/h2-11,23H,1H3,(H,19,22)/b7-5+,8-6+
InChIKey
QRDAPCMJAOQZSU-KQQUZDAGSA-N
Compound name
(E)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

3801
Patents

314.10666 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11394 175.0
[M+Na]+ 337.09588 184.3
[M+NH4]+ 332.14048 179.2
[M+K]+ 353.06982 180.6
[M-H]- 313.09938 174.5
[M+Na-2H]- 335.08133 178.5
[M]+ 314.10611 175.6
[M]- 314.10721 175.6
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

patents stripe