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]+ 284.164506 174.0
[M+Na]+ 306.146448 181.5
[M-H]- 282.149954 178.0
[M+NH4]+ 301.191053 187.6
[M+K]+ 322.120388 176.8
[M+H-H2O]+ 266.154490 160.3
[M+HCOO]- 328.155431 189.9
[M+CH3COO]- 342.171081 207.1
[M+Na-2H]- 304.131896 176.5
[M]+ 283.15668142 170.1
[M]- 283.15777858 170.1
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.