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]+ 406.270036 195.4
[M+Na]+ 428.251978 201.2
[M-H]- 404.255484 199.6
[M+NH4]+ 423.296583 210.1
[M+K]+ 444.225918 198.2
[M+H-H2O]+ 388.260020 188.6
[M+HCOO]- 450.260961 215.6
[M+CH3COO]- 464.276611 229.3
[M+Na-2H]- 426.237426 195.5
[M]+ 405.26221142 201.1
[M]- 405.26330858 201.1
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.