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]+ 331.23802 178.8
[M+Na]+ 353.21996 185.7
[M-H]- 329.22346 183.3
[M+NH4]+ 348.26456 196.9
[M+K]+ 369.19390 182.1
[M+H-H2O]+ 313.22800 172.9
[M+HCOO]- 375.22894 197.5
[M+CH3COO]- 389.24459 213.5
[M+Na-2H]- 351.20541 178.1
[M]+ 330.23019 180.6
[M]- 330.23129 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.