CID 3079061

124237-27-0

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC1=CC(=CC=C1)OC(C)(C)C(=O)NN2C(=CC=C2C)C
InChI
InChI=1S/C17H22N2O2/c1-12-7-6-8-15(11-12)21-17(4,5)16(20)18-19-13(2)9-10-14(19)3/h6-11H,1-5H3,(H,18,20)
InChIKey
SJLKMYZKQSIFFN-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-methyl-2-(3-methylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.8
[M+Na]+ 309.15734 176.3
[M-H]- 285.16084 174.9
[M+NH4]+ 304.20194 185.2
[M+K]+ 325.13128 173.3
[M+H-H2O]+ 269.16538 161.4
[M+HCOO]- 331.16632 190.8
[M+CH3COO]- 345.18197 205.7
[M+Na-2H]- 307.14279 170.9
[M]+ 286.16757 171.7
[M]- 286.16867 171.7
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.