CID 4918064

14943-53-4

Structural Information

Molecular Formula
C22H25NO3
SMILES
CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H25NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,25H,3-4,17-18H2,1-2H3
InChIKey
YGGLNZUXAWIXQH-UHFFFAOYSA-N
Compound name
4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 188.1
[M+Na]+ 374.17266 198.6
[M+NH4]+ 369.21726 190.8
[M+K]+ 390.14660 188.7
[M-H]- 350.17616 182.8
[M+Na-2H]- 372.15811 191.5
[M]+ 351.18289 187.2
[M]- 351.18399 187.2
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.