CID 54698211

Umwsoqjpsgmqrx-uhfffaoysa-n

Structural Information

Molecular Formula
C16H15Cl2N3O3
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CCC#N)O
InChI
InChI=1S/C16H15Cl2N3O3/c1-20(8-10-3-4-12(17)13(18)7-10)15(23)11-9-21(6-2-5-19)16(24)14(11)22/h3-4,7,22H,2,6,8-9H2,1H3
InChIKey
UMWSOQJPSGMQRX-UHFFFAOYSA-N
Compound name
1-(2-cyanoethyl)-N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.04904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05632 183.6
[M+Na]+ 390.03826 194.6
[M-H]- 366.04176 187.6
[M+NH4]+ 385.08286 196.2
[M+K]+ 406.01220 187.8
[M+H-H2O]+ 350.04630 170.7
[M+HCOO]- 412.04724 192.9
[M+CH3COO]- 426.06289 224.8
[M+Na-2H]- 388.02371 180.6
[M]+ 367.04849 183.3
[M]- 367.04959 183.3
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.