CID 455455

Piperid bis-imid deriv.

Structural Information

Molecular Formula
C24H36N6
SMILES
C1CN(CCC1C2=NCCN2)CC3=CC=C(C=C3)CN4CCC(CC4)C5=NCCN5
InChI
InChI=1S/C24H36N6/c1-2-20(18-30-15-7-22(8-16-30)24-27-11-12-28-24)4-3-19(1)17-29-13-5-21(6-14-29)23-25-9-10-26-23/h1-4,21-22H,5-18H2,(H,25,26)(H,27,28)
InChIKey
UKKUBRYXXPBNCW-UHFFFAOYSA-N
Compound name
4-(4,5-dihydro-1H-imidazol-2-yl)-1-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.30014 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.30742 201.4
[M+Na]+ 431.28936 200.7
[M-H]- 407.29286 204.2
[M+NH4]+ 426.33396 204.1
[M+K]+ 447.26330 192.2
[M+H-H2O]+ 391.29740 186.3
[M+HCOO]- 453.29834 205.3
[M+CH3COO]- 467.31399 204.2
[M+Na-2H]- 429.27481 193.1
[M]+ 408.29959 187.2
[M]- 408.30069 187.2
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.