CID 54691730

Schembl6077177

Structural Information

Molecular Formula
C15H14Cl2N2O5
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CC(=O)O)O
InChI
InChI=1S/C15H14Cl2N2O5/c1-18(5-8-2-3-10(16)11(17)4-8)14(23)9-6-19(7-12(20)21)15(24)13(9)22/h2-4,22H,5-7H2,1H3,(H,20,21)
InChIKey
SVCUCWFEMYSREG-UHFFFAOYSA-N
Compound name
2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.02798 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.03526 177.7
[M+Na]+ 395.01720 186.5
[M-H]- 371.02070 182.4
[M+NH4]+ 390.06180 191.1
[M+K]+ 410.99114 181.8
[M+H-H2O]+ 355.02524 172.3
[M+HCOO]- 417.02618 188.5
[M+CH3COO]- 431.04183 214.5
[M+Na-2H]- 393.00265 174.5
[M]+ 372.02743 183.1
[M]- 372.02853 183.1
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

patents stripe