CID 29979818

3-ethyl-2,5-dihydro-4-methyl-2-oxo-n-(2-phenylethyl)-1h-pyrrole-1-carboxamide

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=CC=C2)C
InChI
InChI=1S/C16H20N2O2/c1-3-14-12(2)11-18(15(14)19)16(20)17-10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,17,20)
InChIKey
VAQWDIFLYGGQLK-UHFFFAOYSA-N
Compound name
4-ethyl-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

272.15247 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 164.9
[M+Na]+ 295.141688 171.7
[M-H]- 271.145194 170.4
[M+NH4]+ 290.186293 181.6
[M+K]+ 311.115628 168.0
[M+H-H2O]+ 255.149730 157.0
[M+HCOO]- 317.150671 187.5
[M+CH3COO]- 331.166321 201.2
[M+Na-2H]- 293.127136 165.5
[M]+ 272.15192142 165.7
[M]- 272.15301858 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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