CID 14458348

93798-99-3

Structural Information

Molecular Formula
C19H29N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCN2C(=O)C3CCCCC3C2=O)C
InChI
InChI=1S/C19H29N3O3/c1-18(2)11-14(19(3,4)21-18)15(23)20-9-10-22-16(24)12-7-5-6-8-13(12)17(22)25/h11-13,21H,5-10H2,1-4H3,(H,20,23)
InChIKey
OKJAXLNLCYSSQI-UHFFFAOYSA-N
Compound name
N-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.2209 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.22818 182.7
[M+Na]+ 370.21012 188.7
[M-H]- 346.21362 186.0
[M+NH4]+ 365.25472 201.0
[M+K]+ 386.18406 184.2
[M+H-H2O]+ 330.21816 176.9
[M+HCOO]- 392.21910 196.5
[M+CH3COO]- 406.23475 213.6
[M+Na-2H]- 368.19557 179.8
[M]+ 347.22035 179.6
[M]- 347.22145 179.6
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.