CID 116051

Ro 2-3765

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCN(CC)CCOC(=O)C(CC#C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H27NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h1,7-16H,5-6,17-19H2,2-3H3
InChIKey
JAUDIQQSNPUYJZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-diphenylpent-4-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 193.5
[M+Na]+ 372.19342 199.1
[M-H]- 348.19692 197.3
[M+NH4]+ 367.23802 204.3
[M+K]+ 388.16736 192.9
[M+H-H2O]+ 332.20146 178.4
[M+HCOO]- 394.20240 208.4
[M+CH3COO]- 408.21805 223.3
[M+Na-2H]- 370.17887 194.0
[M]+ 349.20365 190.2
[M]- 349.20475 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.