CID 14458349

93799-00-9

Structural Information

Molecular Formula
C20H31N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCN2C(=O)C3CCCCC3C2=O)C
InChI
InChI=1S/C20H31N3O3/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/h12-14,22H,5-11H2,1-4H3,(H,21,24)
InChIKey
NSJCIQAXBZQCLJ-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-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

361.23654 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24382 186.9
[M+Na]+ 384.22576 192.5
[M-H]- 360.22926 190.0
[M+NH4]+ 379.27036 204.7
[M+K]+ 400.19970 187.8
[M+H-H2O]+ 344.23380 180.9
[M+HCOO]- 406.23474 200.4
[M+CH3COO]- 420.25039 216.5
[M+Na-2H]- 382.21121 183.5
[M]+ 361.23599 184.1
[M]- 361.23709 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.