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]+ 291.133926 165.1
[M+Na]+ 313.115868 172.6
[M-H]- 289.119374 171.3
[M+NH4]+ 308.160473 181.1
[M+K]+ 329.089808 170.9
[M+H-H2O]+ 273.123910 157.5
[M+HCOO]- 335.124851 187.5
[M+CH3COO]- 349.140501 205.3
[M+Na-2H]- 311.101316 164.8
[M]+ 290.12610142 168.3
[M]- 290.12719858 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

patents stripe