CID 3074330

1-(2-fluorobenzyl)-3-(2-methylphenyl)-1,8-naphthyridin-2(1h)-one

Structural Information

Molecular Formula
C22H17FN2O
SMILES
CC1=CC=CC=C1C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4F
InChI
InChI=1S/C22H17FN2O/c1-15-7-2-4-10-18(15)19-13-16-9-6-12-24-21(16)25(22(19)26)14-17-8-3-5-11-20(17)23/h2-13H,14H2,1H3
InChIKey
ATEYLHJOOGUBSY-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.13248 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13976 184.1
[M+Na]+ 367.12170 194.6
[M-H]- 343.12520 191.1
[M+NH4]+ 362.16630 195.4
[M+K]+ 383.09564 186.4
[M+H-H2O]+ 327.12974 171.5
[M+HCOO]- 389.13068 202.9
[M+CH3COO]- 403.14633 194.5
[M+Na-2H]- 365.10715 188.6
[M]+ 344.13193 184.2
[M]- 344.13303 184.2
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