CID 80478

1,3,5-triazine, 1,3,5-tricyclohexylhexahydro-

Structural Information

Molecular Formula
C21H39N3
SMILES
C1CCC(CC1)N2CN(CN(C2)C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C21H39N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h19-21H,1-18H2
InChIKey
ZLLRUEJANKJPQE-UHFFFAOYSA-N
Compound name
1,3,5-tricyclohexyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

29
Patents

333.3144 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.32168 190.8
[M+Na]+ 356.30362 186.0
[M-H]- 332.30712 194.0
[M+NH4]+ 351.34822 197.8
[M+K]+ 372.27756 181.0
[M+H-H2O]+ 316.31166 176.5
[M+HCOO]- 378.31260 193.6
[M+CH3COO]- 392.32825 193.9
[M+Na-2H]- 354.28907 185.2
[M]+ 333.31385 171.6
[M]- 333.31495 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe