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]+ 372.19178 186.0
[M+Na]+ 394.17372 193.6
[M-H]- 370.17722 189.3
[M+NH4]+ 389.21832 202.8
[M+K]+ 410.14766 189.1
[M+H-H2O]+ 354.18176 180.5
[M+HCOO]- 416.18270 201.6
[M+CH3COO]- 430.19835 216.2
[M+Na-2H]- 392.15917 184.4
[M]+ 371.18395 186.7
[M]- 371.18505 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.