CID 54698225

Schembl6078721

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1=CC=C(C=C1)CN(C(=O)C2=C(C(=O)N(C2)C)O)OC
InChI
InChI=1S/C15H18N2O4/c1-10-4-6-11(7-5-10)8-17(21-3)14(19)12-9-16(2)15(20)13(12)18/h4-7,18H,8-9H2,1-3H3
InChIKey
CFQVUSABGKJDDQ-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methoxy-1-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 165.1
[M+Na]+ 313.11587 172.6
[M-H]- 289.11937 171.3
[M+NH4]+ 308.16047 181.1
[M+K]+ 329.08981 170.9
[M+H-H2O]+ 273.12391 157.5
[M+HCOO]- 335.12485 187.5
[M+CH3COO]- 349.14050 205.3
[M+Na-2H]- 311.10132 164.8
[M]+ 290.12610 168.3
[M]- 290.12720 168.3
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.