CID 3021952

N-(chlorophenyl)-2-(3-(2,5-dimethyl-1h-pyrrol-1-yl)phenoxy)propanamide

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CC1=CC=C(N1C2=CC(=CC=C2)OC(C)C(=O)NC3=CC=CC=C3Cl)C
InChI
InChI=1S/C21H21ClN2O2/c1-14-11-12-15(2)24(14)17-7-6-8-18(13-17)26-16(3)21(25)23-20-10-5-4-9-19(20)22/h4-13,16H,1-3H3,(H,23,25)
InChIKey
CXMHHEWKTDESTK-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[3-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 188.7
[M+Na]+ 391.11837 203.3
[M+NH4]+ 386.16297 196.3
[M+K]+ 407.09231 196.9
[M-H]- 367.12187 194.5
[M+Na-2H]- 389.10382 197.4
[M]+ 368.12860 192.8
[M]- 368.12970 192.8
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.

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No patent data available for this compound.