CID 3087539

115025-99-5

Structural Information

Molecular Formula
C30H33NO2
SMILES
CCN(CC)CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C30H33NO2/c1-3-31(4-2)19-20-33-30(32)27(21-25-15-9-13-23-11-5-7-17-28(23)25)22-26-16-10-14-24-12-6-8-18-29(24)26/h5-18,27H,3-4,19-22H2,1-2H3
InChIKey
CGFWEKQREVKJNJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.25113 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.25841 213.7
[M+Na]+ 462.24035 216.9
[M-H]- 438.24385 221.4
[M+NH4]+ 457.28495 224.2
[M+K]+ 478.21429 211.2
[M+H-H2O]+ 422.24839 202.1
[M+HCOO]- 484.24933 232.8
[M+CH3COO]- 498.26498 239.1
[M+Na-2H]- 460.22580 215.7
[M]+ 439.25058 218.3
[M]- 439.25168 218.3
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

patents stripe