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

327
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 193.8
[M+Na]+ 418.11736 198.6
[M-H]- 394.12086 201.5
[M+NH4]+ 413.16196 202.1
[M+K]+ 434.09130 195.9
[M+H-H2O]+ 378.12540 183.1
[M+HCOO]- 440.12634 213.3
[M+CH3COO]- 454.14199 226.4
[M+Na-2H]- 416.10281 191.5
[M]+ 395.12759 193.4
[M]- 395.12869 193.4
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