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]+ 271.107706 161.7
[M+Na]+ 293.089648 168.4
[M-H]- 269.093154 166.1
[M+NH4]+ 288.134253 177.2
[M+K]+ 309.063588 164.4
[M+H-H2O]+ 253.097690 153.9
[M+HCOO]- 315.098631 184.0
[M+CH3COO]- 329.114281 196.4
[M+Na-2H]- 291.075096 163.0
[M]+ 270.09988142 161.4
[M]- 270.10097858 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.