CID 14306892

93844-06-5

Structural Information

Molecular Formula
C22H33N3O5
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C22H33N3O5/c1-21(2)13-15(22(3,4)25-21)20(27)24-10-8-9-23-19(26)14-11-16(28-5)18(30-7)17(12-14)29-6/h11-13,25H,8-10H2,1-7H3,(H,23,26)(H,24,27)
InChIKey
DSUAGLJMMIPSBT-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.24203 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24931 197.2
[M+Na]+ 442.23125 202.8
[M-H]- 418.23475 201.6
[M+NH4]+ 437.27585 211.1
[M+K]+ 458.20519 200.7
[M+H-H2O]+ 402.23929 190.8
[M+HCOO]- 464.24023 216.8
[M+CH3COO]- 478.25588 231.0
[M+Na-2H]- 440.21670 196.5
[M]+ 419.24148 203.0
[M]- 419.24258 203.0
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.