CID 14458351

93799-02-1

Structural Information

Molecular Formula
C20H29N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCN2C(=O)C3CC=CCC3C2=O)C
InChI
InChI=1S/C20H29N3O3/c1-19(2)12-15(20(3,4)22-19)16(24)21-10-7-11-23-17(25)13-8-5-6-9-14(13)18(23)26/h5-6,12-14,22H,7-11H2,1-4H3,(H,21,24)
InChIKey
ZKOUCMGDQSXQPP-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.2209 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.228176 185.5
[M+Na]+ 382.210118 192.0
[M-H]- 358.213624 189.0
[M+NH4]+ 377.254723 203.4
[M+K]+ 398.184058 187.2
[M+H-H2O]+ 342.218160 179.4
[M+HCOO]- 404.219101 200.4
[M+CH3COO]- 418.234751 216.1
[M+Na-2H]- 380.195566 183.1
[M]+ 359.22035142 184.1
[M]- 359.22144858 184.1
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.