CID 3056666

73825-65-7

Structural Information

Molecular Formula
C23H34N6
SMILES
CN(C1CCCCC1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N(C)C4CCCCC4
InChI
InChI=1S/C23H34N6/c1-28(19-14-8-4-9-15-19)22-25-21(24-18-12-6-3-7-13-18)26-23(27-22)29(2)20-16-10-5-11-17-20/h3,6-7,12-13,19-20H,4-5,8-11,14-17H2,1-2H3,(H,24,25,26,27)
InChIKey
SLCCUQVWBCQBKU-UHFFFAOYSA-N
Compound name
2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.2845 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.29178 195.2
[M+Na]+ 417.27372 193.5
[M-H]- 393.27722 203.3
[M+NH4]+ 412.31832 200.6
[M+K]+ 433.24766 189.3
[M+H-H2O]+ 377.28176 180.4
[M+HCOO]- 439.28270 210.2
[M+CH3COO]- 453.29835 200.7
[M+Na-2H]- 415.25917 196.8
[M]+ 394.28395 186.1
[M]- 394.28505 186.1
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.