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]+ 324.19582 197.3
[M+Na]+ 346.17776 205.7
[M+NH4]+ 341.22236 198.3
[M+K]+ 362.15170 192.7
[M-H]- 322.18126 188.8
[M+Na-2H]- 344.16321 196.2
[M]+ 323.18799 194.9
[M]- 323.18909 194.9
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

No patent data available for this compound.