CID 3021950

2-(m-(2,5-dimethyl-1-pyrrolyl)phenoxy)-n-pyridylpropionamide

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=CC=C(N1C2=CC(=CC=C2)OC(C)C(=O)NC3=CC=CC=N3)C
InChI
InChI=1S/C20H21N3O2/c1-14-10-11-15(2)23(14)17-7-6-8-18(13-17)25-16(3)20(24)22-19-9-4-5-12-21-19/h4-13,16H,1-3H3,(H,21,22,24)
InChIKey
LWQJYBHRXUSHBH-UHFFFAOYSA-N
Compound name
2-[3-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.3
[M+Na]+ 358.15262 194.7
[M+NH4]+ 353.19722 188.0
[M+K]+ 374.12656 189.6
[M-H]- 334.15612 186.3
[M+Na-2H]- 356.13807 190.1
[M]+ 335.16285 184.5
[M]- 335.16395 184.5
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.

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No patent data available for this compound.