CID 3021961

Brn 5568125

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)OC(C)C(=O)N)C
InChI
InChI=1S/C15H18N2O2/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)19-12(3)15(16)18/h4-9,12H,1-3H3,(H2,16,18)
InChIKey
JGZJXZCXFZBJSC-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 160.2
[M+Na]+ 281.126058 167.8
[M-H]- 257.129564 165.9
[M+NH4]+ 276.170663 177.2
[M+K]+ 297.099998 164.9
[M+H-H2O]+ 241.134100 152.6
[M+HCOO]- 303.135041 182.8
[M+CH3COO]- 317.150691 200.3
[M+Na-2H]- 279.111506 160.2
[M]+ 258.13629142 161.4
[M]- 258.13738858 161.4
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.