CID 54691036

Jdqydaanqkjurh-uhfffaoysa-n

Structural Information

Molecular Formula
C19H23Cl2N3O4
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CCN3CCOCC3)O
InChI
InChI=1S/C19H23Cl2N3O4/c1-22(11-13-2-3-15(20)16(21)10-13)18(26)14-12-24(19(27)17(14)25)5-4-23-6-8-28-9-7-23/h2-3,10,25H,4-9,11-12H2,1H3
InChIKey
JDQYDAANQKJURH-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

427.10657 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11385 199.7
[M+Na]+ 450.09579 205.5
[M-H]- 426.09929 206.3
[M+NH4]+ 445.14039 208.2
[M+K]+ 466.06973 201.2
[M+H-H2O]+ 410.10383 190.8
[M+HCOO]- 472.10477 205.6
[M+CH3COO]- 486.12042 226.0
[M+Na-2H]- 448.08124 195.2
[M]+ 427.10602 202.4
[M]- 427.10712 202.4
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

No patent data available for this compound.