CID 71316032

1329795-88-1

Structural Information

Molecular Formula
C24H33NO3
SMILES
COC1=CC=C(C=C1)CCNCC(C2=CC=C(C=C2)OC)C3(CCCCC3)O
InChI
InChI=1S/C24H33NO3/c1-27-21-10-6-19(7-11-21)14-17-25-18-23(24(26)15-4-3-5-16-24)20-8-12-22(28-2)13-9-20/h6-13,23,25-26H,3-5,14-18H2,1-2H3
InChIKey
LZUSDEPYNTZFJD-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 196.1
[M+Na]+ 406.23525 197.4
[M-H]- 382.23875 202.5
[M+NH4]+ 401.27985 207.7
[M+K]+ 422.20919 193.1
[M+H-H2O]+ 366.24329 186.2
[M+HCOO]- 428.24423 213.1
[M+CH3COO]- 442.25988 220.1
[M+Na-2H]- 404.22070 196.8
[M]+ 383.24548 193.7
[M]- 383.24658 193.7
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.