CID 204999

17174-44-6

Structural Information

Molecular Formula
C23H39NO
SMILES
CCCCCCOC(CN(CC)CC)C1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C23H39NO/c1-4-7-8-11-18-25-23(19-24(5-2)6-3)22-16-14-21(15-17-22)20-12-9-10-13-20/h14-17,20,23H,4-13,18-19H2,1-3H3
InChIKey
WTFGLQAHXHXFKW-UHFFFAOYSA-N
Compound name
2-(4-cyclopentylphenyl)-N,N-diethyl-2-hexoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.30316 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.31044 194.2
[M+Na]+ 368.29238 194.5
[M-H]- 344.29588 199.8
[M+NH4]+ 363.33698 209.1
[M+K]+ 384.26632 191.3
[M+H-H2O]+ 328.30042 185.1
[M+HCOO]- 390.30136 214.0
[M+CH3COO]- 404.31701 221.7
[M+Na-2H]- 366.27783 190.4
[M]+ 345.30261 196.0
[M]- 345.30371 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

No patent data available for this compound.