CID 9949884

N-(2-(2,2,5,5-tetramethyl-3-pyrroline-3-carbonyl)aminoethyl)phthalimide hydrochloride

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C19H23N3O3/c1-18(2)11-14(19(3,4)21-18)15(23)20-9-10-22-16(24)12-7-5-6-8-13(12)17(22)25/h5-8,11,21H,9-10H2,1-4H3,(H,20,23)
InChIKey
CXSXABKAKFGBJH-UHFFFAOYSA-N
Compound name
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

341.17395 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 178.5
[M+Na]+ 364.16317 187.6
[M-H]- 340.16667 183.3
[M+NH4]+ 359.20777 197.4
[M+K]+ 380.13711 182.6
[M+H-H2O]+ 324.17121 172.5
[M+HCOO]- 386.17215 196.9
[M+CH3COO]- 400.18780 212.3
[M+Na-2H]- 362.14862 178.5
[M]+ 341.17340 179.8
[M]- 341.17450 179.8
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

patents stripe