CID 14458352

93799-05-4

Structural Information

Molecular Formula
C20H25N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC(CN2C(=O)C3=CC=CC=C3C2=O)O)C
InChI
InChI=1S/C20H25N3O4/c1-19(2)9-15(20(3,4)22-19)16(25)21-10-12(24)11-23-17(26)13-7-5-6-8-14(13)18(23)27/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,25)
InChIKey
ZCFVMRSSDATJKL-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.1845 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.191776 186.0
[M+Na]+ 394.173718 193.6
[M-H]- 370.177224 189.3
[M+NH4]+ 389.218323 202.8
[M+K]+ 410.147658 189.1
[M+H-H2O]+ 354.181760 180.5
[M+HCOO]- 416.182701 201.6
[M+CH3COO]- 430.198351 216.2
[M+Na-2H]- 392.159166 184.4
[M]+ 371.18395142 186.7
[M]- 371.18504858 186.7
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.