CID 88744

20980-16-9

Structural Information

Molecular Formula
C30H33N5
SMILES
CNC1=NC(=NC=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H33N5/c1-31-28-17-19-32-29(33-28)35-23-21-34(22-24-35)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,(H,31,32,33)
InChIKey
ZDJJYFKGWFWSON-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.2736 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.28088 216.1
[M+Na]+ 486.26282 217.2
[M-H]- 462.26632 223.3
[M+NH4]+ 481.30742 216.0
[M+K]+ 502.23676 207.4
[M+H-H2O]+ 446.27086 199.6
[M+HCOO]- 508.27180 227.4
[M+CH3COO]- 522.28745 219.9
[M+Na-2H]- 484.24827 220.1
[M]+ 463.27305 208.8
[M]- 463.27415 208.8
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.