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 178.4
[M+Na]+ 346.17776 186.5
[M-H]- 322.18126 180.3
[M+NH4]+ 341.22236 186.0
[M+K]+ 362.15170 176.1
[M+H-H2O]+ 306.18580 161.8
[M+HCOO]- 368.18674 180.4
[M+CH3COO]- 382.20239 182.2
[M+Na-2H]- 344.16321 177.3
[M]+ 323.18799 164.3
[M]- 323.18909 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.