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]+ 359.24416 185.4
[M+Na]+ 381.22610 189.9
[M-H]- 357.22960 189.5
[M+NH4]+ 376.27070 201.2
[M+K]+ 397.20004 186.0
[M+H-H2O]+ 341.23414 178.5
[M+HCOO]- 403.23508 206.3
[M+CH3COO]- 417.25073 221.3
[M+Na-2H]- 379.21155 186.6
[M]+ 358.23633 184.6
[M]- 358.23743 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.