CID 112339

69868-18-4

Structural Information

Molecular Formula
C26H49N3
SMILES
C1CC(CCC1CC2CCC(CC2)NC3CCC(CC3)CC4CCC(CC4)N)N
InChI
InChI=1S/C26H49N3/c27-23-9-1-19(2-10-23)17-21-5-13-25(14-6-21)29-26-15-7-22(8-16-26)18-20-3-11-24(28)12-4-20/h19-26,29H,1-18,27-28H2
InChIKey
FDMZOCLEIWRBIQ-UHFFFAOYSA-N
Compound name
4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

403.39264 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.39992 209.5
[M+Na]+ 426.38186 214.6
[M+NH4]+ 421.42646 217.8
[M+K]+ 442.35580 206.1
[M-H]- 402.38536 218.8
[M+Na-2H]- 424.36731 212.6
[M]+ 403.39209 212.3
[M]- 403.39319 212.3
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

patents stripe