CID 3021957

N-(chlorophenyl)-2-(4-(2,5-dimethyl-1h-pyrrol-1-yl)phenoxy)propanamide

Structural Information

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

Patent stripe

No patent data available for this compound.