CID 54698221

Schembl6077951

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)OC)OC
InChI
InChI=1S/C15H18N2O5/c1-16-9-12(13(18)15(16)20)14(19)17(22-3)8-10-4-6-11(21-2)7-5-10/h4-7,18H,8-9H2,1-3H3
InChIKey
WNXOPIMCDUQDOD-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.12158 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 167.6
[M+Na]+ 329.11080 174.8
[M-H]- 305.11430 173.7
[M+NH4]+ 324.15540 182.7
[M+K]+ 345.08474 173.8
[M+H-H2O]+ 289.11884 159.7
[M+HCOO]- 351.11978 190.1
[M+CH3COO]- 365.13543 207.6
[M+Na-2H]- 327.09625 167.4
[M]+ 306.12103 172.2
[M]- 306.12213 172.2
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.