CID 210900

21868-49-5

Structural Information

Molecular Formula
C20H29N7
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H29N7/c21-19-22-18(23-20(24-19)27-9-5-2-6-10-27)16-26-13-11-25(12-14-26)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2,(H2,21,22,23,24)
InChIKey
KODXHLKHJMMXKF-UHFFFAOYSA-N
Compound name
4-[(4-benzylpiperazin-1-yl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.24844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25572 195.0
[M+Na]+ 390.23766 197.4
[M-H]- 366.24116 196.8
[M+NH4]+ 385.28226 196.9
[M+K]+ 406.21160 189.2
[M+H-H2O]+ 350.24570 179.4
[M+HCOO]- 412.24664 203.1
[M+CH3COO]- 426.26229 199.3
[M+Na-2H]- 388.22311 196.0
[M]+ 367.24789 184.7
[M]- 367.24899 184.7
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.