CID 3044263

Brn 0585137

Structural Information

Molecular Formula
C20H29N7
SMILES
C1CCC(CC1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H29N7/c21-19-23-18(24-20(25-19)22-16-7-3-1-4-8-16)15-26-11-13-27(14-12-26)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H3,21,22,23,24,25)
InChIKey
FECKDZADEMHWCE-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.24844 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25572 191.3
[M+Na]+ 390.23766 192.9
[M-H]- 366.24116 194.5
[M+NH4]+ 385.28226 194.4
[M+K]+ 406.21160 185.2
[M+H-H2O]+ 350.24570 176.4
[M+HCOO]- 412.24664 202.0
[M+CH3COO]- 426.26229 196.1
[M+Na-2H]- 388.22311 193.5
[M]+ 367.24789 180.1
[M]- 367.24899 180.1
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.