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]+ 360.22818 185.5
[M+Na]+ 382.21012 192.0
[M-H]- 358.21362 189.0
[M+NH4]+ 377.25472 203.4
[M+K]+ 398.18406 187.2
[M+H-H2O]+ 342.21816 179.4
[M+HCOO]- 404.21910 200.4
[M+CH3COO]- 418.23475 216.1
[M+Na-2H]- 380.19557 183.1
[M]+ 359.22035 184.1
[M]- 359.22145 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.