CID 11976726

148146-51-4

Structural Information

Molecular Formula
C26H22FNO4
SMILES
CC(C)C(=O)C1(C(O1)(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)
InChIKey
AAEQXEDPVFIFDK-UHFFFAOYSA-N
Compound name
3-(4-fluorobenzoyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2397
Patents

431.1533 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16058 196.1
[M+Na]+ 454.14252 202.5
[M-H]- 430.14602 208.1
[M+NH4]+ 449.18712 202.2
[M+K]+ 470.11646 201.3
[M+H-H2O]+ 414.15056 187.0
[M+HCOO]- 476.15150 214.2
[M+CH3COO]- 490.16715 231.4
[M+Na-2H]- 452.12797 198.0
[M]+ 431.15275 199.6
[M]- 431.15385 199.6
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