CID 54698198

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

Structural Information

Molecular Formula
C19H17Cl2N3O3
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CC3=CC=NC=C3)O
InChI
InChI=1S/C19H17Cl2N3O3/c1-23(9-13-2-3-15(20)16(21)8-13)18(26)14-11-24(19(27)17(14)25)10-12-4-6-22-7-5-12/h2-8,25H,9-11H2,1H3
InChIKey
VDHGPNITEAQGBH-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

405.0647 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.07198 191.8
[M+Na]+ 428.05392 200.6
[M-H]- 404.05742 198.9
[M+NH4]+ 423.09852 202.8
[M+K]+ 444.02786 194.2
[M+H-H2O]+ 388.06196 182.8
[M+HCOO]- 450.06290 202.7
[M+CH3COO]- 464.07855 222.5
[M+Na-2H]- 426.03937 189.6
[M]+ 405.06415 196.8
[M]- 405.06525 196.8
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