CID 56865

95133-27-0

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H25NO2/c1-3-23(4-2)17-11-12-18-25-22(24)21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,17-18H2,1-2H3
InChIKey
FBQLKBFHIUQCAJ-UHFFFAOYSA-N
Compound name
4-(diethylamino)but-2-ynyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 184.9
[M+Na]+ 358.17776 196.5
[M+NH4]+ 353.22236 188.6
[M+K]+ 374.15170 185.4
[M-H]- 334.18126 181.0
[M+Na-2H]- 356.16321 189.1
[M]+ 335.18799 184.6
[M]- 335.18909 184.6
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.