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
1
Annotation Hits

0
References

119
Patents

375.1282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13548 188.9
[M+Na]+ 398.11742 199.5
[M+NH4]+ 393.16202 195.0
[M+K]+ 414.09136 192.4
[M-H]- 374.12092 190.6
[M+Na-2H]- 396.10287 192.7
[M]+ 375.12765 190.7
[M]- 375.12875 190.7
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