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
1
Annotation Hits

13
References

802
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

literature stripe

Patent stripe

patents stripe