CID 3074602

Pyrimidine, 2,4-di-1-pyrrolidinyl-6-(4-(triphenylmethyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C35H40N6
SMILES
C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C35H40N6/c1-4-14-29(15-5-1)35(30-16-6-2-7-17-30,31-18-8-3-9-19-31)41-26-24-39(25-27-41)33-28-32(38-20-10-11-21-38)36-34(37-33)40-22-12-13-23-40/h1-9,14-19,28H,10-13,20-27H2
InChIKey
IZISWXBGWSECIV-UHFFFAOYSA-N
Compound name
2,4-dipyrrolidin-1-yl-6-(4-tritylpiperazin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.3314 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.33868 228.0
[M+Na]+ 567.32062 226.4
[M-H]- 543.32412 238.3
[M+NH4]+ 562.36522 224.8
[M+K]+ 583.29456 216.5
[M+H-H2O]+ 527.32866 209.7
[M+HCOO]- 589.32960 232.2
[M+CH3COO]- 603.34525 229.4
[M+Na-2H]- 565.30607 220.9
[M]+ 544.33085 215.6
[M]- 544.33195 215.6
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.