CID 40632

Pirfenidone

Structural Information

Molecular Formula
C12H11NO
SMILES
CC1=CN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
ISWRGOKTTBVCFA-UHFFFAOYSA-N
Compound name
5-methyl-1-phenylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1388
References

22710
Patents

185.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 136.9
[M+Na]+ 208.07328 146.7
[M-H]- 184.07678 143.0
[M+NH4]+ 203.11788 155.6
[M+K]+ 224.04722 143.0
[M+H-H2O]+ 168.08132 129.5
[M+HCOO]- 230.08226 161.2
[M+CH3COO]- 244.09791 182.2
[M+Na-2H]- 206.05873 144.9
[M]+ 185.08351 137.4
[M]- 185.08461 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.