CID 54698229

Flpkttstebyfmp-uhfffaoysa-n

Structural Information

Molecular Formula
C16H19N3O5
SMILES
CC(=O)NC1=CC=C(C=C1)CN(C(=O)C2=C(C(=O)N(C2)C)O)OC
InChI
InChI=1S/C16H19N3O5/c1-10(20)17-12-6-4-11(5-7-12)8-19(24-3)15(22)13-9-18(2)16(23)14(13)21/h4-7,21H,8-9H2,1-3H3,(H,17,20)
InChIKey
FLPKTTSTEBYFMP-UHFFFAOYSA-N
Compound name
N-[(4-acetamidophenyl)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

333.13248 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13976 175.2
[M+Na]+ 356.12170 181.0
[M-H]- 332.12520 181.2
[M+NH4]+ 351.16630 188.7
[M+K]+ 372.09564 179.9
[M+H-H2O]+ 316.12974 167.0
[M+HCOO]- 378.13068 197.5
[M+CH3COO]- 392.14633 215.4
[M+Na-2H]- 354.10715 173.9
[M]+ 333.13193 178.0
[M]- 333.13303 178.0
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