CID 212674

24642-43-1

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCN(CC)CC#CC(C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H27NO2/c1-4-24(5-2)18-12-13-19(3)26-23(25)22(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17,19,22H,4-5,18H2,1-3H3
InChIKey
BNSYFUZOIWRSOE-UHFFFAOYSA-N
Compound name
5-(diethylamino)pent-3-yn-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 193.2
[M+Na]+ 372.193418 198.2
[M-H]- 348.196924 196.9
[M+NH4]+ 367.238023 204.0
[M+K]+ 388.167358 192.3
[M+H-H2O]+ 332.201460 178.0
[M+HCOO]- 394.202401 207.8
[M+CH3COO]- 408.218051 223.3
[M+Na-2H]- 370.178866 191.0
[M]+ 349.20365142 189.2
[M]- 349.20474858 189.2
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.