CID 54698193

Vnpsfmdafdfzja-uhfffaoysa-n

Structural Information

Molecular Formula
C16H16Cl2N2O3
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)C3CC3)O
InChI
InChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10,21H,3-4,7-8H2,1H3
InChIKey
VNPSFMDAFDFZJA-UHFFFAOYSA-N
Compound name
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.0538 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06108 173.4
[M+Na]+ 377.04302 183.6
[M-H]- 353.04652 181.9
[M+NH4]+ 372.08762 183.4
[M+K]+ 393.01696 176.8
[M+H-H2O]+ 337.05106 167.2
[M+HCOO]- 399.05200 185.9
[M+CH3COO]- 413.06765 215.6
[M+Na-2H]- 375.02847 171.2
[M]+ 354.05325 180.0
[M]- 354.05435 180.0
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