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]+ 373.25981 189.6
[M+Na]+ 395.24175 193.7
[M-H]- 371.24525 193.4
[M+NH4]+ 390.28635 204.8
[M+K]+ 411.21569 189.6
[M+H-H2O]+ 355.24979 182.5
[M+HCOO]- 417.25073 210.1
[M+CH3COO]- 431.26638 224.2
[M+Na-2H]- 393.22720 190.4
[M]+ 372.25198 189.2
[M]- 372.25308 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.