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

1
Patents

360.35046 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.35774 192.7
[M+Na]+ 383.33968 187.0
[M-H]- 359.34318 197.4
[M+NH4]+ 378.38428 203.0
[M+K]+ 399.31362 181.6
[M+H-H2O]+ 343.34772 182.0
[M+HCOO]- 405.34866 205.3
[M+CH3COO]- 419.36431 221.7
[M+Na-2H]- 381.32513 190.0
[M]+ 360.34991 179.9
[M]- 360.35101 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