CID 215865

Brn 0945485

Structural Information

Molecular Formula
C30H32N4
SMILES
CC1=CN=CC(=N1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H32N4/c1-25-23-31-24-29(32-25)34-21-19-33(20-22-34)18-17-30(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,23-24H,17-22H2,1H3
InChIKey
RETFWVFIUHAHJK-UHFFFAOYSA-N
Compound name
2-methyl-6-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2627 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.26998 215.5
[M+Na]+ 471.25192 217.5
[M-H]- 447.25542 222.7
[M+NH4]+ 466.29652 216.3
[M+K]+ 487.22586 207.6
[M+H-H2O]+ 431.25996 198.9
[M+HCOO]- 493.26090 225.6
[M+CH3COO]- 507.27655 219.7
[M+Na-2H]- 469.23737 218.2
[M]+ 448.26215 208.6
[M]- 448.26325 208.6
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.