CID 14306906

93823-68-8

Structural Information

Molecular Formula
C24H35N3O3
SMILES
CC1=CC(=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC(NC2(C)C)(C)C)CC=C
InChI
InChI=1S/C24H35N3O3/c1-7-9-18-14-17(2)10-11-20(18)30-16-21(28)25-12-8-13-26-22(29)19-15-23(3,4)27-24(19,5)6/h7,10-11,14-15,27H,1,8-9,12-13,16H2,2-6H3,(H,25,28)(H,26,29)
InChIKey
YCVHNJLNGLKACX-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.26785 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.27513 200.5
[M+Na]+ 436.25707 205.1
[M-H]- 412.26057 204.2
[M+NH4]+ 431.30167 214.5
[M+K]+ 452.23101 200.4
[M+H-H2O]+ 396.26511 193.6
[M+HCOO]- 458.26605 219.3
[M+CH3COO]- 472.28170 230.5
[M+Na-2H]- 434.24252 198.8
[M]+ 413.26730 202.9
[M]- 413.26840 202.9
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.