CID 18585

3216-54-4

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCN(CC)CCOC(=O)C(CC=C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H27NO2/c1-4-10-20(21(23)24-16-15-22(5-2)6-3)19-14-9-12-17-11-7-8-13-18(17)19/h4,7-9,11-14,20H,1,5-6,10,15-16H2,2-3H3
InChIKey
VCGAKFSCYYVKIR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-naphthalen-1-ylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 182.5
[M+Na]+ 348.19342 186.2
[M-H]- 324.19692 186.9
[M+NH4]+ 343.23802 197.7
[M+K]+ 364.16736 182.9
[M+H-H2O]+ 308.20146 174.1
[M+HCOO]- 370.20240 203.1
[M+CH3COO]- 384.21805 217.6
[M+Na-2H]- 346.17887 183.9
[M]+ 325.20365 186.3
[M]- 325.20475 186.3
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.