CID 24845178

93798-82-4

Structural Information

Molecular Formula
C21H32N4O2
SMILES
CC(=O)NC1=CC=C(C=C1)CNCCCNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C21H32N4O2/c1-15(26)24-17-9-7-16(8-10-17)14-22-11-6-12-23-19(27)18-13-20(2,3)25-21(18,4)5/h7-10,13,22,25H,6,11-12,14H2,1-5H3,(H,23,27)(H,24,26)
InChIKey
OEKQWURFETVUMB-UHFFFAOYSA-N
Compound name
N-[3-[(4-acetamidophenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.25253 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.259806 189.6
[M+Na]+ 395.241748 193.7
[M-H]- 371.245254 193.4
[M+NH4]+ 390.286353 204.8
[M+K]+ 411.215688 189.6
[M+H-H2O]+ 355.249790 182.5
[M+HCOO]- 417.250731 210.1
[M+CH3COO]- 431.266381 224.2
[M+Na-2H]- 393.227196 190.4
[M]+ 372.25198142 189.2
[M]- 372.25307858 189.2
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.