CID 112339

Cyclohexanamine, 4-[(4-aminocyclohexyl)methyl]-n-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-

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

56
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 203.1
[M+Na]+ 426.38186 196.1
[M-H]- 402.38536 209.3
[M+NH4]+ 421.42646 210.8
[M+K]+ 442.35580 190.2
[M+H-H2O]+ 386.38990 192.0
[M+HCOO]- 448.39084 210.3
[M+CH3COO]- 462.40649 205.6
[M+Na-2H]- 424.36731 194.5
[M]+ 403.39209 181.7
[M]- 403.39319 181.7
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