CID 54698194

Otgwrbovszokje-uhfffaoysa-n

Structural Information

Molecular Formula
C16H19Cl2N3O3
SMILES
CNCCN1CC(=C(C1=O)O)C(=O)N(C)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3O3/c1-19-5-6-21-9-11(14(22)16(21)24)15(23)20(2)8-10-3-4-12(17)13(18)7-10/h3-4,7,19,22H,5-6,8-9H2,1-2H3
InChIKey
OTGWRBOVSZOKJE-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-[2-(methylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.08035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08763 185.5
[M+Na]+ 394.06957 193.7
[M-H]- 370.07307 190.8
[M+NH4]+ 389.11417 199.5
[M+K]+ 410.04351 188.2
[M+H-H2O]+ 354.07761 178.9
[M+HCOO]- 416.07855 198.6
[M+CH3COO]- 430.09420 220.2
[M+Na-2H]- 392.05502 183.0
[M]+ 371.07980 190.6
[M]- 371.08090 190.6
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