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]+ 350.21148 193.2
[M+Na]+ 372.19342 198.2
[M-H]- 348.19692 196.9
[M+NH4]+ 367.23802 204.0
[M+K]+ 388.16736 192.3
[M+H-H2O]+ 332.20146 178.0
[M+HCOO]- 394.20240 207.8
[M+CH3COO]- 408.21805 223.3
[M+Na-2H]- 370.17887 191.0
[M]+ 349.20365 189.2
[M]- 349.20475 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.