CID 54698231

4-hydroxy-n-[(2-isopropoxyphenyl)methyl]-n-methoxy-1-methyl-5-oxo-2h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C17H22N2O5
SMILES
CC(C)OC1=CC=CC=C1CN(C(=O)C2=C(C(=O)N(C2)C)O)OC
InChI
InChI=1S/C17H22N2O5/c1-11(2)24-14-8-6-5-7-12(14)9-19(23-4)16(21)13-10-18(3)17(22)15(13)20/h5-8,11,20H,9-10H2,1-4H3
InChIKey
XWMZSKGOTJMHLO-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methoxy-1-methyl-5-oxo-N-[(2-propan-2-yloxyphenyl)methyl]-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.15286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 176.6
[M+Na]+ 357.14208 182.6
[M-H]- 333.14558 182.4
[M+NH4]+ 352.18668 190.5
[M+K]+ 373.11602 181.8
[M+H-H2O]+ 317.15012 168.6
[M+HCOO]- 379.15106 197.4
[M+CH3COO]- 393.16671 214.4
[M+Na-2H]- 355.12753 174.3
[M]+ 334.15231 181.3
[M]- 334.15341 181.3
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.