CID 210109

Brn 0903937

Structural Information

Molecular Formula
C30H32N4O
SMILES
COC1=NC(=NC=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H32N4O/c1-35-28-17-19-31-29(32-28)34-23-21-33(22-24-34)20-18-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-17,19H,18,20-24H2,1H3
InChIKey
VGCJPZYRZQLIGU-UHFFFAOYSA-N
Compound name
4-methoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2576 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.26488 218.3
[M+Na]+ 487.24682 219.9
[M-H]- 463.25032 225.5
[M+NH4]+ 482.29142 218.3
[M+K]+ 503.22076 210.9
[M+H-H2O]+ 447.25486 201.5
[M+HCOO]- 509.25580 228.5
[M+CH3COO]- 523.27145 222.3
[M+Na-2H]- 485.23227 221.1
[M]+ 464.25705 212.6
[M]- 464.25815 212.6
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.