CID 115956

63978-42-7

Structural Information

Molecular Formula
C31H34N4
SMILES
CC1=CN=C(C(=N1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C31H34N4/c1-25-24-32-26(2)30(33-25)35-22-20-34(21-23-35)19-18-31(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,24H,18-23H2,1-2H3
InChIKey
IJTVYRPLFILXAY-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.27835 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.28563 220.9
[M+Na]+ 485.26757 223.3
[M-H]- 461.27107 228.4
[M+NH4]+ 480.31217 221.4
[M+K]+ 501.24151 213.4
[M+H-H2O]+ 445.27561 204.2
[M+HCOO]- 507.27655 230.7
[M+CH3COO]- 521.29220 225.0
[M+Na-2H]- 483.25302 222.3
[M]+ 462.27780 214.8
[M]- 462.27890 214.8
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.