CID 452531

2,6-bis(4-mepip-me-ph)pyridine

Structural Information

Molecular Formula
C29H37N5
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=CC=C3)C4=CC=C(C=C4)CN5CCN(CC5)C
InChI
InChI=1S/C29H37N5/c1-31-14-18-33(19-15-31)22-24-6-10-26(11-7-24)28-4-3-5-29(30-28)27-12-8-25(9-13-27)23-34-20-16-32(2)17-21-34/h3-13H,14-23H2,1-2H3
InChIKey
SPROCWLEXWSNFG-UHFFFAOYSA-N
Compound name
1-methyl-4-[[4-[6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-yl]phenyl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.3049 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.31218 222.0
[M+Na]+ 478.29412 223.8
[M-H]- 454.29762 227.7
[M+NH4]+ 473.33872 221.7
[M+K]+ 494.26806 213.8
[M+H-H2O]+ 438.30216 204.3
[M+HCOO]- 500.30310 228.5
[M+CH3COO]- 514.31875 225.0
[M+Na-2H]- 476.27957 218.7
[M]+ 455.30435 212.9
[M]- 455.30545 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.