CID 54698228

Pusmvtiugmuhgz-uhfffaoysa-n

Structural Information

Molecular Formula
C15H15N3O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)C#N)OC
InChI
InChI=1S/C15H15N3O4/c1-17-9-12(13(19)15(17)21)14(20)18(22-2)8-11-5-3-10(7-16)4-6-11/h3-6,19H,8-9H2,1-2H3
InChIKey
PUSMVTIUGMUHGZ-UHFFFAOYSA-N
Compound name
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methoxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.10626 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 168.9
[M+Na]+ 324.09548 177.9
[M-H]- 300.09898 173.3
[M+NH4]+ 319.14008 182.2
[M+K]+ 340.06942 175.0
[M+H-H2O]+ 284.10352 154.2
[M+HCOO]- 346.10446 187.2
[M+CH3COO]- 360.12011 216.2
[M+Na-2H]- 322.08093 168.2
[M]+ 301.10571 166.1
[M]- 301.10681 166.1
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.