CID 92293311

Zk209614

Structural Information

Molecular Formula
C24H23F3N2O5
SMILES
CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)[C@](CC(C)(C)C3=CC=CC4=C3OCC4)(C(F)(F)F)O
InChI
InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)/t23-/m1/s1
InChIKey
VRZVKIJRJRBQJT-HSZRJFAPSA-N
Compound name
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

476.1559 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.16318 211.4
[M+Na]+ 499.14512 218.3
[M-H]- 475.14862 215.0
[M+NH4]+ 494.18972 217.9
[M+K]+ 515.11906 216.0
[M+H-H2O]+ 459.15316 201.7
[M+HCOO]- 521.15410 219.5
[M+CH3COO]- 535.16975 236.4
[M+Na-2H]- 497.13057 216.4
[M]+ 476.15535 211.7
[M]- 476.15645 211.7
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

No patent data available for this compound.