CID 24845176

93823-91-7

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CC(=O)NC1=CC=C(C=C1)CNCCNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C20H30N4O2/c1-14(25)23-16-8-6-15(7-9-16)13-21-10-11-22-18(26)17-12-19(2,3)24-20(17,4)5/h6-9,12,21,24H,10-11,13H2,1-5H3,(H,22,26)(H,23,25)
InChIKey
XBJDPRGATUZOEY-UHFFFAOYSA-N
Compound name
N-[2-[(4-acetamidophenyl)methylamino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.23688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.244156 185.4
[M+Na]+ 381.226098 189.9
[M-H]- 357.229604 189.5
[M+NH4]+ 376.270703 201.2
[M+K]+ 397.200038 186.0
[M+H-H2O]+ 341.234140 178.5
[M+HCOO]- 403.235081 206.3
[M+CH3COO]- 417.250731 221.3
[M+Na-2H]- 379.211546 186.6
[M]+ 358.23633142 184.6
[M]- 358.23742858 184.6
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.