CID 21860702

H2693 cpd

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CC1=C(C(=CC=C1)C)OCC(C)NC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C20H30N2O2/c1-13-9-8-10-14(2)17(13)24-12-15(3)21-18(23)16-11-19(4,5)22-20(16,6)7/h8-11,15,22H,12H2,1-7H3,(H,21,23)
InChIKey
JFLDWHCHXCSLFS-UHFFFAOYSA-N
Compound name
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.23074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.238016 178.8
[M+Na]+ 353.219958 185.7
[M-H]- 329.223464 183.3
[M+NH4]+ 348.264563 196.9
[M+K]+ 369.193898 182.1
[M+H-H2O]+ 313.228000 172.9
[M+HCOO]- 375.228941 197.5
[M+CH3COO]- 389.244591 213.5
[M+Na-2H]- 351.205406 178.1
[M]+ 330.23019142 180.6
[M]- 330.23128858 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.