CID 54698209

Uvqnupdhkwoomt-uhfffaoysa-n

Structural Information

Molecular Formula
C16H17Cl2N3O4
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CCC(=O)N)O
InChI
InChI=1S/C16H17Cl2N3O4/c1-20(7-9-2-3-11(17)12(18)6-9)15(24)10-8-21(5-4-13(19)22)16(25)14(10)23/h2-3,6,23H,4-5,7-8H2,1H3,(H2,19,22)
InChIKey
UVQNUPDHKWOOMT-UHFFFAOYSA-N
Compound name
1-(3-amino-3-oxopropyl)-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

2
Patents

385.0596 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06688 186.3
[M+Na]+ 408.04882 194.2
[M-H]- 384.05232 191.4
[M+NH4]+ 403.09342 199.2
[M+K]+ 424.02276 189.2
[M+H-H2O]+ 368.05686 180.1
[M+HCOO]- 430.05780 198.3
[M+CH3COO]- 444.07345 222.1
[M+Na-2H]- 406.03427 182.0
[M]+ 385.05905 190.6
[M]- 385.06015 190.6
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