CID 118712

34675-79-1

Structural Information

Molecular Formula
C29H30N4
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CN=C5
InChI
InChI=1S/C29H30N4/c1-4-10-25(11-5-1)29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)16-19-32-20-22-33(23-21-32)28-24-30-17-18-31-28/h1-15,17-18,24H,16,19-23H2
InChIKey
BYTVUZSLDOOEOJ-UHFFFAOYSA-N
Compound name
2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.24704 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25432 210.0
[M+Na]+ 457.23626 211.5
[M-H]- 433.23976 216.9
[M+NH4]+ 452.28086 211.0
[M+K]+ 473.21020 201.8
[M+H-H2O]+ 417.24430 193.5
[M+HCOO]- 479.24524 220.5
[M+CH3COO]- 493.26089 214.3
[M+Na-2H]- 455.22171 214.0
[M]+ 434.24649 202.4
[M]- 434.24759 202.4
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

patents stripe