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 183.6
[M+Na]+ 382.17372 190.7
[M+NH4]+ 377.21832 191.2
[M+K]+ 398.14766 187.4
[M-H]- 358.17722 187.3
[M+Na-2H]- 380.15917 187.3
[M]+ 359.18395 185.5
[M]- 359.18505 185.5
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.