CID 14458350

93799-01-0

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCN2C(=O)C3CC=CCC3C2=O)C
InChI
InChI=1S/C19H27N3O3/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/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23)
InChIKey
FTIZMQDAYRGQEU-UHFFFAOYSA-N
Compound name
N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-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

345.20523 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 181.2
[M+Na]+ 368.19445 188.3
[M-H]- 344.19795 185.0
[M+NH4]+ 363.23905 199.8
[M+K]+ 384.16839 183.6
[M+H-H2O]+ 328.20249 175.3
[M+HCOO]- 390.20343 196.6
[M+CH3COO]- 404.21908 213.2
[M+Na-2H]- 366.17990 179.3
[M]+ 345.20468 179.6
[M]- 345.20578 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.