CID 3066803

111253-93-1

Structural Information

Molecular Formula
C16H19ClN2O2
SMILES
CC1=CC=C(N1NC(=O)C(C)OC2=CC(=C(C=C2)Cl)C)C
InChI
InChI=1S/C16H19ClN2O2/c1-10-9-14(7-8-15(10)17)21-13(4)16(20)18-19-11(2)5-6-12(19)3/h5-9,13H,1-4H3,(H,18,20)
InChIKey
JPUSISGQAIFBGY-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1135 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12078 171.1
[M+Na]+ 329.10272 183.8
[M+NH4]+ 324.14732 178.3
[M+K]+ 345.07666 179.0
[M-H]- 305.10622 174.1
[M+Na-2H]- 327.08817 177.0
[M]+ 306.11295 173.9
[M]- 306.11405 173.9
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.