CID 215866

Brn 0727925

Structural Information

Molecular Formula
C28H30N6
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=NC(=N5)N
InChI
InChI=1S/C28H30N6/c29-26-30-22-31-27(32-26)34-20-18-33(19-21-34)17-16-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22H,16-21H2,(H2,29,30,31,32)
InChIKey
HSCPPWVYZGSTFD-UHFFFAOYSA-N
Compound name
4-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.2532 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.26048 212.3
[M+Na]+ 473.24242 214.4
[M-H]- 449.24592 218.2
[M+NH4]+ 468.28702 211.2
[M+K]+ 489.21636 204.2
[M+H-H2O]+ 433.25046 195.7
[M+HCOO]- 495.25140 222.3
[M+CH3COO]- 509.26705 216.0
[M+Na-2H]- 471.22787 216.7
[M]+ 450.25265 204.1
[M]- 450.25375 204.1
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.