CID 24845191

102131-37-3

Structural Information

Molecular Formula
C20H27N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C20H27N3O4/c1-19(2)11-14(20(3,4)23-19)18(25)22-9-5-8-21-17(24)13-6-7-15-16(10-13)27-12-26-15/h6-7,10-11,23H,5,8-9,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKey
VGVABLNSZPISLR-UHFFFAOYSA-N
Compound name
N-[3-(1,3-benzodioxole-5-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.20016 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20744 188.8
[M+Na]+ 396.18938 194.3
[M-H]- 372.19288 195.1
[M+NH4]+ 391.23398 204.2
[M+K]+ 412.16332 192.8
[M+H-H2O]+ 356.19742 183.1
[M+HCOO]- 418.19836 206.1
[M+CH3COO]- 432.21401 219.0
[M+Na-2H]- 394.17483 190.5
[M]+ 373.19961 191.1
[M]- 373.20071 191.1
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.