CID 3054343

71151-26-3

Structural Information

Molecular Formula
C21H25NO
SMILES
CCN(CC)CC(CC1=CC=CC=C1)(C#CC2=CC=CC=C2)O
InChI
InChI=1S/C21H25NO/c1-3-22(4-2)18-21(23,17-20-13-9-6-10-14-20)16-15-19-11-7-5-8-12-19/h5-14,23H,3-4,17-18H2,1-2H3
InChIKey
WFRQPICZUSTXBR-UHFFFAOYSA-N
Compound name
2-benzyl-1-(diethylamino)-4-phenylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 180.0
[M+Na]+ 330.18282 191.8
[M+NH4]+ 325.22742 184.2
[M+K]+ 346.15676 180.5
[M-H]- 306.18632 176.1
[M+Na-2H]- 328.16827 184.8
[M]+ 307.19305 179.9
[M]- 307.19415 179.9
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.