CID 205001

17174-45-7

Structural Information

Molecular Formula
C26H45NO
SMILES
CCCCCCCCOC(CN(CC)CC)C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C26H45NO/c1-4-7-8-9-10-14-21-28-26(22-27(5-2)6-3)25-19-17-24(18-20-25)23-15-12-11-13-16-23/h17-20,23,26H,4-16,21-22H2,1-3H3
InChIKey
QSLLVEFSGJRULD-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-N,N-diethyl-2-octoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.35013 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.35741 206.1
[M+Na]+ 410.33935 204.1
[M-H]- 386.34285 210.5
[M+NH4]+ 405.38395 217.2
[M+K]+ 426.31329 200.3
[M+H-H2O]+ 370.34739 195.8
[M+HCOO]- 432.34833 222.6
[M+CH3COO]- 446.36398 231.0
[M+Na-2H]- 408.32480 202.1
[M]+ 387.34958 206.6
[M]- 387.35068 206.6
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

No patent data available for this compound.