CID 4417

Nafronyl

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
InChIKey
KBAFPSLPKGSANY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

466
References

4167
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

literature stripe

Patent stripe

patents stripe