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 188.4
[M+Na]+ 358.17776 194.0
[M-H]- 334.18126 192.2
[M+NH4]+ 353.22236 199.8
[M+K]+ 374.15170 187.9
[M+H-H2O]+ 318.18580 173.2
[M+HCOO]- 380.18674 204.2
[M+CH3COO]- 394.20239 219.9
[M+Na-2H]- 356.16321 187.8
[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.