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

55
Patents

408.1297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.136976 193.9
[M+Na]+ 431.118918 203.3
[M-H]- 407.122424 197.6
[M+NH4]+ 426.163523 204.8
[M+K]+ 447.092858 200.6
[M+H-H2O]+ 391.126960 182.8
[M+HCOO]- 453.127901 207.4
[M+CH3COO]- 467.143551 227.2
[M+Na-2H]- 429.104366 196.8
[M]+ 408.12915142 194.3
[M]- 408.13024858 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

literature stripe

Patent stripe

patents stripe