CID 24845310

93798-83-5

Structural Information

Molecular Formula
C22H35N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C22H35N3O4/c1-21(2)13-16(22(3,4)25-21)20(26)24-10-8-9-23-14-15-11-17(27-5)19(29-7)18(12-15)28-6/h11-13,23,25H,8-10,14H2,1-7H3,(H,24,26)
InChIKey
QLKHXTLFANAEQA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.26276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.27004 198.0
[M+Na]+ 428.25198 205.6
[M+NH4]+ 423.29658 204.7
[M+K]+ 444.22592 198.8
[M-H]- 404.25548 199.4
[M+Na-2H]- 426.23743 203.3
[M]+ 405.26221 199.3
[M]- 405.26331 199.3
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.