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]+ 395.291776 195.2
[M+Na]+ 417.273718 193.5
[M-H]- 393.277224 203.3
[M+NH4]+ 412.318323 200.6
[M+K]+ 433.247658 189.3
[M+H-H2O]+ 377.281760 180.4
[M+HCOO]- 439.282701 210.2
[M+CH3COO]- 453.298351 200.7
[M+Na-2H]- 415.259166 196.8
[M]+ 394.28395142 186.1
[M]- 394.28504858 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.