CID 3088317

Brn 5073156

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=CC(=CC=C1)OCC(=O)NN2C(=CC=C2C)C
InChI
InChI=1S/C15H18N2O2/c1-11-5-4-6-14(9-11)19-10-15(18)16-17-12(2)7-8-13(17)3/h4-9H,10H2,1-3H3,(H,16,18)
InChIKey
SJEKCBKJDKEDRA-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.7
[M+Na]+ 281.126058 167.7
[M-H]- 257.129564 165.8
[M+NH4]+ 276.170663 177.1
[M+K]+ 297.099998 164.6
[M+H-H2O]+ 241.134100 151.9
[M+HCOO]- 303.135041 184.0
[M+CH3COO]- 317.150691 199.3
[M+Na-2H]- 279.111506 161.9
[M]+ 258.13629142 162.4
[M]- 258.13738858 162.4
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.