CID 3021962

Brn 5553299

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=CC=C(N1C2=CC=CC=C2OCC(=O)N)C
InChI
InChI=1S/C14H16N2O2/c1-10-7-8-11(2)16(10)12-5-3-4-6-13(12)18-9-14(15)17/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKey
OVRLQDHJGCJRQA-UHFFFAOYSA-N
Compound name
2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.4
[M+Na]+ 267.11041 163.7
[M-H]- 243.11391 161.1
[M+NH4]+ 262.15501 173.0
[M+K]+ 283.08435 160.5
[M+H-H2O]+ 227.11845 147.8
[M+HCOO]- 289.11939 179.3
[M+CH3COO]- 303.13504 196.3
[M+Na-2H]- 265.09586 157.1
[M]+ 244.12064 156.8
[M]- 244.12174 156.8
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.