CID 384395

Nsc674118

Structural Information

Molecular Formula
C19H24F3NO5
SMILES
CCCC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F
InChI
InChI=1S/C19H24F3NO5/c1-3-9-18(23-17(24)19(20,21)22)10-14(25-2)27-13-11-26-16(28-15(13)18)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3,(H,23,24)
InChIKey
WHOKFUQXNVEIBT-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16064 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16792 195.4
[M+Na]+ 426.14986 199.8
[M-H]- 402.15336 199.5
[M+NH4]+ 421.19446 204.5
[M+K]+ 442.12380 200.4
[M+H-H2O]+ 386.15790 184.9
[M+HCOO]- 448.15884 204.0
[M+CH3COO]- 462.17449 223.3
[M+Na-2H]- 424.13531 198.9
[M]+ 403.16009 192.5
[M]- 403.16119 192.5
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.