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

118
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 186.7
[M+Na]+ 398.11742 195.2
[M-H]- 374.12092 191.5
[M+NH4]+ 393.16202 199.8
[M+K]+ 414.09136 191.9
[M+H-H2O]+ 358.12546 177.4
[M+HCOO]- 420.12640 201.2
[M+CH3COO]- 434.14205 221.6
[M+Na-2H]- 396.10287 187.0
[M]+ 375.12765 185.5
[M]- 375.12875 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