CID 9906101

Schembl7779969

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(=O)NCCCC1OCC(CO1)C2=CC=CC3=C2C=CC(=C3)OC
InChI
InChI=1S/C20H25NO4/c1-14(22)21-10-4-7-20-24-12-16(13-25-20)18-6-3-5-15-11-17(23-2)8-9-19(15)18/h3,5-6,8-9,11,16,20H,4,7,10,12-13H2,1-2H3,(H,21,22)
InChIKey
SSXKMHRQMSCUCP-UHFFFAOYSA-N
Compound name
N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

343.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 183.9
[M+Na]+ 366.167558 188.0
[M-H]- 342.171064 191.6
[M+NH4]+ 361.212163 194.9
[M+K]+ 382.141498 187.0
[M+H-H2O]+ 326.175600 174.8
[M+HCOO]- 388.176541 200.7
[M+CH3COO]- 402.192191 215.4
[M+Na-2H]- 364.153006 187.4
[M]+ 343.17779142 185.4
[M]- 343.17888858 185.4
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.