CID 6451714

41359-72-2

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C24H33NO3/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19/h5-6,8-9,11-12,16,22-23H,3-4,7,10,13-15,17-18H2,1-2H3
InChIKey
IEBDTIUHMNLDTC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(naphthalen-2-ylmethyl)-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.24603 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 199.6
[M+Na]+ 406.235248 200.6
[M-H]- 382.238754 206.9
[M+NH4]+ 401.279853 212.1
[M+K]+ 422.209188 198.7
[M+H-H2O]+ 366.243290 190.5
[M+HCOO]- 428.244231 217.4
[M+CH3COO]- 442.259881 225.7
[M+Na-2H]- 404.220696 197.9
[M]+ 383.24548142 202.3
[M]- 383.24657858 202.3
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