CID 5278571

Chembl13168

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CN1C=C(C=C1/C=C/C(=O)NO)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
InChIKey
BUPFBXCQRDPWSF-BQYQJAHWSA-N
Compound name
(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.10043 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 161.7
[M+Na]+ 293.08965 168.4
[M-H]- 269.09315 166.1
[M+NH4]+ 288.13425 177.2
[M+K]+ 309.06359 164.4
[M+H-H2O]+ 253.09769 153.9
[M+HCOO]- 315.09863 184.0
[M+CH3COO]- 329.11428 196.4
[M+Na-2H]- 291.07510 163.0
[M]+ 270.09988 161.4
[M]- 270.10098 161.4
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.