CID 170378

Tidembersat

Structural Information

Molecular Formula
C20H19F2NO4
SMILES
CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2NC(=O)C3=CC(=CC(=C3)F)F)O)(C)C
InChI
InChI=1S/C20H19F2NO4/c1-10(24)11-4-5-16-15(8-11)17(18(25)20(2,3)27-16)23-19(26)12-6-13(21)9-14(22)7-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
InChIKey
NWHCDESSIHFNIJ-ZWKOTPCHSA-N
Compound name
N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

122
Patents

375.1282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.135476 186.7
[M+Na]+ 398.117418 195.2
[M-H]- 374.120924 191.5
[M+NH4]+ 393.162023 199.8
[M+K]+ 414.091358 191.9
[M+H-H2O]+ 358.125460 177.4
[M+HCOO]- 420.126401 201.2
[M+CH3COO]- 434.142051 221.6
[M+Na-2H]- 396.102866 187.0
[M]+ 375.12765142 185.5
[M]- 375.12874858 185.5
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

patents stripe