CID 120856

965-73-1

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CO2)O
InChI
InChI=1S/C18H21NO2/c1-3-19(4-2)14-9-13-18(20,17-12-8-15-21-17)16-10-6-5-7-11-16/h5-8,10-12,15,20H,3-4,14H2,1-2H3
InChIKey
FHIAJDPUQGETMN-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1-(furan-2-yl)-1-phenylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 170.4
[M+Na]+ 306.14645 180.9
[M+NH4]+ 301.19105 174.2
[M+K]+ 322.12039 173.1
[M-H]- 282.14995 166.3
[M+Na-2H]- 304.13190 173.5
[M]+ 283.15668 169.9
[M]- 283.15778 169.9
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.