CID 2909322

380906-28-5

Structural Information

Molecular Formula
C21H15ClN2O4
SMILES
C1=CC(=CN=C1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O4/c22-15-7-5-14(6-8-15)18-17(19(25)16-4-2-10-28-16)20(26)21(27)24(18)12-13-3-1-9-23-11-13/h1-11,18,26H,12H2
InChIKey
RQEMWNMZBGZYLN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.07202 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07930 190.3
[M+Na]+ 417.06124 205.5
[M+NH4]+ 412.10584 196.6
[M+K]+ 433.03518 202.3
[M-H]- 393.06474 196.7
[M+Na-2H]- 415.04669 198.3
[M]+ 394.07147 194.5
[M]- 394.07257 194.5
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.