CID 384393

Nsc674116

Structural Information

Molecular Formula
C17H20F3NO5
SMILES
CC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F
InChI
InChI=1S/C17H20F3NO5/c1-16(21-15(22)17(18,19)20)8-12(23-2)25-11-9-24-14(26-13(11)16)10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3,(H,21,22)
InChIKey
JSDNZWQQFHOALK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(6-methoxy-8-methyl-2-phenyl-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

375.12936 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13664 186.1
[M+Na]+ 398.11858 191.4
[M-H]- 374.12208 190.6
[M+NH4]+ 393.16318 196.4
[M+K]+ 414.09252 192.5
[M+H-H2O]+ 358.12662 176.1
[M+HCOO]- 420.12756 195.5
[M+CH3COO]- 434.14321 217.4
[M+Na-2H]- 396.10403 190.6
[M]+ 375.12881 182.5
[M]- 375.12991 182.5
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.