CID 9438169

924473-59-6

Structural Information

Molecular Formula
C19H14F3N3O3
SMILES
CC1=NOC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H14F3N3O3/c1-11-8-16(28-25-11)18(27)24-14-6-2-4-12(9-14)17(26)23-15-7-3-5-13(10-15)19(20,21)22/h2-10H,1H3,(H,23,26)(H,24,27)
InChIKey
XVOKFRPKSAWELK-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

32
Patents

389.09872 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10600 187.7
[M+Na]+ 412.08794 194.7
[M-H]- 388.09144 193.7
[M+NH4]+ 407.13254 197.1
[M+K]+ 428.06188 191.0
[M+H-H2O]+ 372.09598 175.9
[M+HCOO]- 434.09692 206.5
[M+CH3COO]- 448.11257 222.0
[M+Na-2H]- 410.07339 189.4
[M]+ 389.09817 185.4
[M]- 389.09927 185.4
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