CID 3064531

1,8-naphthyridin-2(1h)-one, 3-methyl-1-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C16H11F3N2O
SMILES
CC1=CC2=C(N=CC=C2)N(C1=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2O/c1-10-8-11-4-3-7-20-14(11)21(15(10)22)13-6-2-5-12(9-13)16(17,18)19/h2-9H,1H3
InChIKey
TUYYQWHGLSNMRK-UHFFFAOYSA-N
Compound name
3-methyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.08234 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08962 168.2
[M+Na]+ 327.07156 180.0
[M-H]- 303.07506 170.1
[M+NH4]+ 322.11616 181.8
[M+K]+ 343.04550 173.3
[M+H-H2O]+ 287.07960 156.5
[M+HCOO]- 349.08054 184.3
[M+CH3COO]- 363.09619 204.8
[M+Na-2H]- 325.05701 174.1
[M]+ 304.08179 166.1
[M]- 304.08289 166.1
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