CID 102798

N,n'-bis(cyclohexylethyl)-1,4-cyclohexenebis(methylamine) diacetate

Structural Information

Molecular Formula
C24H44N2
SMILES
C1CCC(CC1)CCNCC2CCC(=CC2)CNCCC3CCCCC3
InChI
InChI=1S/C24H44N2/c1-3-7-21(8-4-1)15-17-25-19-23-11-13-24(14-12-23)20-26-18-16-22-9-5-2-6-10-22/h11,21-22,24-26H,1-10,12-20H2
InChIKey
IFZWKOJXOZGLPX-UHFFFAOYSA-N
Compound name
2-cyclohexyl-N-[[4-[(2-cyclohexylethylamino)methyl]cyclohex-3-en-1-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.35046 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.357736 192.7
[M+Na]+ 383.339678 187.0
[M-H]- 359.343184 197.4
[M+NH4]+ 378.384283 203.0
[M+K]+ 399.313618 181.6
[M+H-H2O]+ 343.347720 182.0
[M+HCOO]- 405.348661 205.3
[M+CH3COO]- 419.364311 221.7
[M+Na-2H]- 381.325126 190.0
[M]+ 360.34991142 179.9
[M]- 360.35100858 179.9
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