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]+ 259.14412 160.2
[M+Na]+ 281.12606 167.8
[M-H]- 257.12956 165.9
[M+NH4]+ 276.17066 177.2
[M+K]+ 297.10000 164.9
[M+H-H2O]+ 241.13410 152.6
[M+HCOO]- 303.13504 182.8
[M+CH3COO]- 317.15069 200.3
[M+Na-2H]- 279.11151 160.2
[M]+ 258.13629 161.4
[M]- 258.13739 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.