CID 210107

Brn 0966852

Structural Information

Molecular Formula
C30H32N4
SMILES
CC1=NC(=NC=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H32N4/c1-25-17-19-31-29(32-25)34-23-21-33(22-24-34)20-18-30(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-17,19H,18,20-24H2,1H3
InChIKey
XFJFIWCXGAQABP-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2627 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.26998 216.6
[M+Na]+ 471.25192 234.4
[M+NH4]+ 466.29652 224.0
[M+K]+ 487.22586 222.9
[M-H]- 447.25542 225.9
[M+Na-2H]- 469.23737 230.7
[M]+ 448.26215 222.1
[M]- 448.26325 222.1
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.