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

41
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 172.3
[M+Na]+ 337.09588 179.4
[M-H]- 313.09938 175.4
[M+NH4]+ 332.14048 186.2
[M+K]+ 353.06982 173.9
[M+H-H2O]+ 297.10392 163.5
[M+HCOO]- 359.10486 193.0
[M+CH3COO]- 373.12051 204.9
[M+Na-2H]- 335.08133 171.2
[M]+ 314.10611 171.2
[M]- 314.10721 171.2
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