CID 3066805

111253-95-3

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=CC(=CC=C1)OC(C)C(=O)NN2C(=CC=C2C)C
InChI
InChI=1S/C16H20N2O2/c1-11-6-5-7-15(10-11)20-14(4)16(19)17-18-12(2)8-9-13(18)3/h5-10,14H,1-4H3,(H,17,19)
InChIKey
UKWXZGRATDSYMI-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.2
[M+Na]+ 295.14169 176.7
[M+NH4]+ 290.18629 172.2
[M+K]+ 311.11563 172.7
[M-H]- 271.14519 168.2
[M+Na-2H]- 293.12714 171.3
[M]+ 272.15192 167.5
[M]- 272.15302 167.5
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.