CID 54698212

Gbyfhsjuplkzpa-uhfffaoysa-n

Structural Information

Molecular Formula
C20H25Cl2N3O4
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CCCN3CCOCC3)O
InChI
InChI=1S/C20H25Cl2N3O4/c1-23(12-14-3-4-16(21)17(22)11-14)19(27)15-13-25(20(28)18(15)26)6-2-5-24-7-9-29-10-8-24/h3-4,11,26H,2,5-10,12-13H2,1H3
InChIKey
GBYFHSJUPLKZPA-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(3-morpholin-4-ylpropyl)-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

441.12222 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.12950 204.1
[M+Na]+ 464.11144 209.5
[M-H]- 440.11494 210.5
[M+NH4]+ 459.15604 212.0
[M+K]+ 480.08538 204.9
[M+H-H2O]+ 424.11948 195.0
[M+HCOO]- 486.12042 209.7
[M+CH3COO]- 500.13607 228.9
[M+Na-2H]- 462.09689 199.1
[M]+ 441.12167 207.2
[M]- 441.12277 207.2
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