CID 3021960

Brn 5604813

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)OC(C)C(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O2/c1-15-9-10-16(2)23(15)19-11-13-20(14-12-19)25-17(3)21(24)22-18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,22,24)
InChIKey
MMSNDRMLFHIQPY-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 182.2
[M+Na]+ 357.15734 195.6
[M+NH4]+ 352.20194 189.6
[M+K]+ 373.13128 189.9
[M-H]- 333.16084 187.9
[M+Na-2H]- 355.14279 191.2
[M]+ 334.16757 185.7
[M]- 334.16867 185.7
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.