CID 54698199

1h-pyrrole-3-carboxamide, 1-[(1-ethylpyrrolidin-2-yl)methyl]-n-[(3,4-dichlorophenyl)methyl]-2,5-dihydro-4-hydroxy-n-methyl-5-oxo-

Structural Information

Molecular Formula
C20H25Cl2N3O3
SMILES
CCN1CCCC1CN2CC(=C(C2=O)O)C(=O)N(C)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H25Cl2N3O3/c1-3-24-8-4-5-14(24)11-25-12-15(18(26)20(25)28)19(27)23(2)10-13-6-7-16(21)17(22)9-13/h6-7,9,14,26H,3-5,8,10-12H2,1-2H3
InChIKey
DDYVMXONFYKVKC-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)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

425.1273 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13458 202.5
[M+Na]+ 448.11652 209.5
[M-H]- 424.12002 209.3
[M+NH4]+ 443.16112 214.6
[M+K]+ 464.09046 203.4
[M+H-H2O]+ 408.12456 194.4
[M+HCOO]- 470.12550 211.0
[M+CH3COO]- 484.14115 227.2
[M+Na-2H]- 446.10197 194.6
[M]+ 425.12675 205.9
[M]- 425.12785 205.9
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