CID 67982437

3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C13H11FN4O3
SMILES
COC1=NC(=NC(=N1)C2C3=C(C(=CC=C3)F)NC2=O)OC
InChI
InChI=1S/C13H11FN4O3/c1-20-12-16-10(17-13(18-12)21-2)8-6-4-3-5-7(14)9(6)15-11(8)19/h3-5,8H,1-2H3,(H,15,19)
InChIKey
OMZXPZMWBLROGQ-UHFFFAOYSA-N
Compound name
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

290.0815 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08878 164.6
[M+Na]+ 313.07072 176.0
[M-H]- 289.07422 165.5
[M+NH4]+ 308.11532 177.2
[M+K]+ 329.04466 170.9
[M+H-H2O]+ 273.07876 154.3
[M+HCOO]- 335.07970 181.1
[M+CH3COO]- 349.09535 175.5
[M+Na-2H]- 311.05617 167.5
[M]+ 290.08095 166.1
[M]- 290.08205 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