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]+ 259.14412 160.9
[M+Na]+ 281.12606 173.0
[M+NH4]+ 276.17066 168.2
[M+K]+ 297.10000 168.3
[M-H]- 257.12956 164.1
[M+Na-2H]- 279.11151 167.6
[M]+ 258.13629 163.4
[M]- 258.13739 163.4
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.