CID 201961

Brn 0632146

Structural Information

Molecular Formula
C22H33N7
SMILES
C1CCC(CC1)NC2=NC(=NC(=N2)N)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H33N7/c23-21-25-20(26-22(27-21)24-18-8-3-1-4-9-18)12-7-13-28-14-16-29(17-15-28)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H3,23,24,25,26,27)
InChIKey
MFGLIMRNZYQXHX-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-6-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.27975 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28703 198.9
[M+Na]+ 418.26897 199.5
[M-H]- 394.27247 201.8
[M+NH4]+ 413.31357 200.8
[M+K]+ 434.24291 191.5
[M+H-H2O]+ 378.27701 183.6
[M+HCOO]- 440.27795 208.9
[M+CH3COO]- 454.29360 202.9
[M+Na-2H]- 416.25442 200.2
[M]+ 395.27920 188.3
[M]- 395.28030 188.3
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.