CID 361001

Nsc623733

Structural Information

Molecular Formula
C17H11F3N2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H11F3N2O3/c18-17(19,20)10-4-3-5-11(8-10)21-16(24)13(23)9-15-22-12-6-1-2-7-14(12)25-15/h1-8H,9H2,(H,21,24)
InChIKey
JPAZVODSXPOEKV-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.07217 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07945 175.5
[M+Na]+ 371.06139 184.6
[M-H]- 347.06489 179.4
[M+NH4]+ 366.10599 188.2
[M+K]+ 387.03533 180.8
[M+H-H2O]+ 331.06943 165.0
[M+HCOO]- 393.07037 193.8
[M+CH3COO]- 407.08602 211.7
[M+Na-2H]- 369.04684 179.9
[M]+ 348.07162 175.6
[M]- 348.07272 175.6
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.