CID 2822999

Ccg-53425

Structural Information

Molecular Formula
C24H30N4O
SMILES
CCCCCCC#CC1=CC(=CN=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C24H30N4O/c1-2-3-4-5-6-8-11-21-18-22(20-25-19-21)26-24(29)28-16-14-27(15-17-28)23-12-9-7-10-13-23/h7,9-10,12-13,18-20H,2-6,14-17H2,1H3,(H,26,29)
InChIKey
KWDVQHFWXRWFEU-UHFFFAOYSA-N
Compound name
N-(5-oct-1-ynyl-3-pyridinyl)-4-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

390.24197 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.249246 196.1
[M+Na]+ 413.231188 200.4
[M-H]- 389.234694 196.0
[M+NH4]+ 408.275793 200.6
[M+K]+ 429.205128 191.2
[M+H-H2O]+ 373.239230 177.2
[M+HCOO]- 435.240171 204.8
[M+CH3COO]- 449.255821 225.6
[M+Na-2H]- 411.216636 195.1
[M]+ 390.24142142 186.4
[M]- 390.24251858 186.4
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.