CID 10047015

Sarakalim

Structural Information

Molecular Formula
C20H19F3N2O4
SMILES
CC(=O)N(CC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3C=CC=CC3=O)O
InChI
InChI=1S/C20H19F3N2O4/c1-12(26)25(28)11-15-18(24-9-5-4-6-17(24)27)14-10-13(20(21,22)23)7-8-16(14)29-19(15,2)3/h4-10,28H,11H2,1-3H3
InChIKey
FXRJKZVWFJSKGI-UHFFFAOYSA-N
Compound name
N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

408.1297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13698 193.9
[M+Na]+ 431.11892 203.3
[M-H]- 407.12242 197.6
[M+NH4]+ 426.16352 204.8
[M+K]+ 447.09286 200.6
[M+H-H2O]+ 391.12696 182.8
[M+HCOO]- 453.12790 207.4
[M+CH3COO]- 467.14355 227.2
[M+Na-2H]- 429.10437 196.8
[M]+ 408.12915 194.3
[M]- 408.13025 194.3
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.