CID 134397000

Dazcapistat

Structural Information

Molecular Formula
C21H18FN3O4
SMILES
CC1=NC(=C(O1)C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)N)C3=CC=CC=C3F
InChI
InChI=1S/C21H18FN3O4/c1-12-24-17(14-9-5-6-10-15(14)22)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H2,23,27)(H,25,28)
InChIKey
XYQHCMDVGIJOTA-UHFFFAOYSA-N
Compound name
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

395.12814 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13542 193.6
[M+Na]+ 418.11736 203.0
[M+NH4]+ 413.16196 197.2
[M+K]+ 434.09130 201.0
[M-H]- 394.12086 197.1
[M+Na-2H]- 416.10281 198.6
[M]+ 395.12759 195.4
[M]- 395.12869 195.4
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