CID 71671605

198063-87-5

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
COC(=O)CCC1=C(NC(=O)C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClNO3/c1-19-13(18)7-4-10-8-12(17)16-14(10)9-2-5-11(15)6-3-9/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)
InChIKey
OQYGGZVKIMTUNR-UHFFFAOYSA-N
Compound name
methyl 3-[5-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-4-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06622 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 161.6
[M+Na]+ 302.05544 174.0
[M+NH4]+ 297.10004 168.5
[M+K]+ 318.02938 169.3
[M-H]- 278.05894 163.1
[M+Na-2H]- 300.04089 166.9
[M]+ 279.06567 163.8
[M]- 279.06677 163.8
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.