CID 102071

1,4-cyclohexanebis(methylamine), n,n'-bis((2-trifluoromethyl)benzyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C24H28F6N2
SMILES
C1CC(CCC1CNCC2=CC=CC=C2C(F)(F)F)CNCC3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C24H28F6N2/c25-23(26,27)21-7-3-1-5-19(21)15-31-13-17-9-11-18(12-10-17)14-32-16-20-6-2-4-8-22(20)24(28,29)30/h1-8,17-18,31-32H,9-16H2
InChIKey
XKZGEHDLWAXCFP-UHFFFAOYSA-N
Compound name
N-[[2-(trifluoromethyl)phenyl]methyl]-1-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.21567 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22295 208.6
[M+Na]+ 481.20489 211.6
[M-H]- 457.20839 208.4
[M+NH4]+ 476.24949 215.9
[M+K]+ 497.17883 203.5
[M+H-H2O]+ 441.21293 193.5
[M+HCOO]- 503.21387 218.7
[M+CH3COO]- 517.22952 237.7
[M+Na-2H]- 479.19034 207.3
[M]+ 458.21512 196.0
[M]- 458.21622 196.0
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