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]+ 308.200876 183.5
[M+Na]+ 330.182818 189.8
[M-H]- 306.186324 186.5
[M+NH4]+ 325.227423 195.7
[M+K]+ 346.156758 182.8
[M+H-H2O]+ 290.190860 169.3
[M+HCOO]- 352.191801 198.4
[M+CH3COO]- 366.207451 213.4
[M+Na-2H]- 328.168266 185.7
[M]+ 307.19305142 177.9
[M]- 307.19414858 177.9
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.