CID 193943

Carabersat

Structural Information

Molecular Formula
C20H20FNO4
SMILES
CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2NC(=O)C3=CC=C(C=C3)F)O)(C)C
InChI
InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
InChIKey
RCLXAPJEFHPYEG-ZWKOTPCHSA-N
Compound name
N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

869
Patents

357.13763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14491 183.3
[M+Na]+ 380.12685 190.9
[M-H]- 356.13035 189.2
[M+NH4]+ 375.17145 197.0
[M+K]+ 396.10079 188.0
[M+H-H2O]+ 340.13489 174.9
[M+HCOO]- 402.13583 199.1
[M+CH3COO]- 416.15148 217.5
[M+Na-2H]- 378.11230 185.0
[M]+ 357.13708 182.9
[M]- 357.13818 182.9
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.