CID 203675

14991-97-0

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCC(CC1)(C#CC2=CC=C(C=C2)C#CCN3CCOCC3)O
InChI
InChI=1S/C21H25NO2/c23-21(11-2-1-3-12-21)13-10-20-8-6-19(7-9-20)5-4-14-22-15-17-24-18-16-22/h6-9,23H,1-3,11-12,14-18H2
InChIKey
ZVMICJPKZKDTKW-UHFFFAOYSA-N
Compound name
1-[2-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 178.4
[M+Na]+ 346.177758 186.5
[M-H]- 322.181264 180.3
[M+NH4]+ 341.222363 186.0
[M+K]+ 362.151698 176.1
[M+H-H2O]+ 306.185800 161.8
[M+HCOO]- 368.186741 180.4
[M+CH3COO]- 382.202391 182.2
[M+Na-2H]- 344.163206 177.3
[M]+ 323.18799142 164.3
[M]- 323.18908858 164.3
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.