CID 210899

Brn 0733064

Structural Information

Molecular Formula
C25H32N8
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=NC(=NC(=N3)N4CCN(CC4)C5=CC=CC=C5)N
InChI
InChI=1S/C25H32N8/c26-24-27-23(20-31-13-11-30(12-14-31)19-21-7-3-1-4-8-21)28-25(29-24)33-17-15-32(16-18-33)22-9-5-2-6-10-22/h1-10H,11-20H2,(H2,26,27,28,29)
InChIKey
ZYTHBHZBUCNDSO-UHFFFAOYSA-N
Compound name
4-[(4-benzylpiperazin-1-yl)methyl]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.275 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.28228 214.4
[M+Na]+ 467.26422 216.5
[M-H]- 443.26772 217.5
[M+NH4]+ 462.30882 211.2
[M+K]+ 483.23816 205.9
[M+H-H2O]+ 427.27226 196.5
[M+HCOO]- 489.27320 220.1
[M+CH3COO]- 503.28885 216.7
[M+Na-2H]- 465.24967 214.6
[M]+ 444.27445 203.6
[M]- 444.27555 203.6
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.