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]+ 465.264876 218.3
[M+Na]+ 487.246818 219.9
[M-H]- 463.250324 225.5
[M+NH4]+ 482.291423 218.3
[M+K]+ 503.220758 210.9
[M+H-H2O]+ 447.254860 201.5
[M+HCOO]- 509.255801 228.5
[M+CH3COO]- 523.271451 222.3
[M+Na-2H]- 485.232266 221.1
[M]+ 464.25705142 212.6
[M]- 464.25814858 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.