CID 45124

1-naphthaleneacetic acid, alpha-(1-naphthyl)-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C28H29NO2
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H29NO2/c1-3-29(4-2)19-20-31-28(30)27(25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26/h5-18,27H,3-4,19-20H2,1-2H3
InChIKey
BYULIPBDZBTHQK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-dinaphthalen-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.21982 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22710 204.4
[M+Na]+ 434.20904 208.6
[M-H]- 410.21254 212.6
[M+NH4]+ 429.25364 216.1
[M+K]+ 450.18298 203.3
[M+H-H2O]+ 394.21708 193.3
[M+HCOO]- 456.21802 224.3
[M+CH3COO]- 470.23367 233.4
[M+Na-2H]- 432.19449 207.6
[M]+ 411.21927 208.5
[M]- 411.22037 208.5
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.