CID 24845308

93823-95-1

Structural Information

Molecular Formula
C21H33N3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNCC2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C21H33N3O4/c1-20(2)12-15(21(3,4)24-20)19(25)23-9-8-22-13-14-10-16(26-5)18(28-7)17(11-14)27-6/h10-12,22,24H,8-9,13H2,1-7H3,(H,23,25)
InChIKey
MFCOKDWKJKPGHO-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.2471 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25438 191.1
[M+Na]+ 414.23632 197.4
[M-H]- 390.23982 195.6
[M+NH4]+ 409.28092 206.4
[M+K]+ 430.21026 194.6
[M+H-H2O]+ 374.24436 184.5
[M+HCOO]- 436.24530 211.7
[M+CH3COO]- 450.26095 226.3
[M+Na-2H]- 412.22177 191.7
[M]+ 391.24655 196.5
[M]- 391.24765 196.5
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.