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

0
Patents

383.24603 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 199.6
[M+Na]+ 406.23525 200.6
[M-H]- 382.23875 206.9
[M+NH4]+ 401.27985 212.1
[M+K]+ 422.20919 198.7
[M+H-H2O]+ 366.24329 190.5
[M+HCOO]- 428.24423 217.4
[M+CH3COO]- 442.25988 225.7
[M+Na-2H]- 404.22070 197.9
[M]+ 383.24548 202.3
[M]- 383.24658 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

No patent data available for this compound.