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]+ 374.207436 188.8
[M+Na]+ 396.189378 194.3
[M-H]- 372.192884 195.1
[M+NH4]+ 391.233983 204.2
[M+K]+ 412.163318 192.8
[M+H-H2O]+ 356.197420 183.1
[M+HCOO]- 418.198361 206.1
[M+CH3COO]- 432.214011 219.0
[M+Na-2H]- 394.174826 190.5
[M]+ 373.19961142 191.1
[M]- 373.20070858 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.