CID 54698201

Xwvczxqtdacwky-uhfffaoysa-n

Structural Information

Molecular Formula
C20H25Cl2N3O3
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CCN3CCCCC3)O
InChI
InChI=1S/C20H25Cl2N3O3/c1-23(12-14-5-6-16(21)17(22)11-14)19(27)15-13-25(20(28)18(15)26)10-9-24-7-3-2-4-8-24/h5-6,11,26H,2-4,7-10,12-13H2,1H3
InChIKey
XWVCZXQTDACWKY-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

425.1273 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13458 200.1
[M+Na]+ 448.11652 205.5
[M-H]- 424.12002 205.8
[M+NH4]+ 443.16112 210.0
[M+K]+ 464.09046 199.4
[M+H-H2O]+ 408.12456 191.0
[M+HCOO]- 470.12550 206.5
[M+CH3COO]- 484.14115 226.5
[M+Na-2H]- 446.10197 194.5
[M]+ 425.12675 201.2
[M]- 425.12785 201.2
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