CID 14306922

93823-58-6

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C19H25N3O4/c1-18(2)10-13(19(3,4)22-18)17(24)21-8-7-20-16(23)12-5-6-14-15(9-12)26-11-25-14/h5-6,9-10,22H,7-8,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKey
YNCTZWXRKGXPSZ-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.1845 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 184.4
[M+Na]+ 382.17372 190.3
[M-H]- 358.17722 190.9
[M+NH4]+ 377.21832 200.3
[M+K]+ 398.14766 189.0
[M+H-H2O]+ 342.18176 178.9
[M+HCOO]- 404.18270 202.0
[M+CH3COO]- 418.19835 216.1
[M+Na-2H]- 380.15917 186.6
[M]+ 359.18395 186.4
[M]- 359.18505 186.4
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.