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 180.6
[M+Na]+ 358.15262 187.1
[M-H]- 334.15612 188.2
[M+NH4]+ 353.19722 192.6
[M+K]+ 374.12656 182.6
[M+H-H2O]+ 318.16066 170.3
[M+HCOO]- 380.16160 202.0
[M+CH3COO]- 394.17725 213.7
[M+Na-2H]- 356.13807 181.4
[M]+ 335.16285 182.2
[M]- 335.16395 182.2
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.