CID 24208924

853312-75-1

Structural Information

Molecular Formula
C18H11F3N2O
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F
InChI
InChI=1S/C18H11F3N2O/c1-10-16-14(18(19,20)21)9-15(22-17(16)24-23-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3
InChIKey
POIIXVAOLCUFPN-UHFFFAOYSA-N
Compound name
3-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.08234 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08962 174.6
[M+Na]+ 351.07156 187.7
[M-H]- 327.07506 178.7
[M+NH4]+ 346.11616 188.8
[M+K]+ 367.04550 181.5
[M+H-H2O]+ 311.07960 163.4
[M+HCOO]- 373.08054 190.9
[M+CH3COO]- 387.09619 186.2
[M+Na-2H]- 349.05701 180.7
[M]+ 328.08179 175.6
[M]- 328.08289 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.