CID 9948660

649735-41-1

Structural Information

Molecular Formula
C16H13FN4O2
SMILES
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)O)C
InChI
InChI=1S/C16H13FN4O2/c1-8-5-10-11(20-8)3-4-13(14(10)17)23-16-15-9(2)12(22)6-21(15)19-7-18-16/h3-7,20,22H,1-2H3
InChIKey
NBBOVDMBSDVVFP-UHFFFAOYSA-N
Compound name
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

312.10226 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10954 170.5
[M+Na]+ 335.09148 185.1
[M-H]- 311.09498 173.1
[M+NH4]+ 330.13608 185.1
[M+K]+ 351.06542 177.8
[M+H-H2O]+ 295.09952 161.5
[M+HCOO]- 357.10046 189.1
[M+CH3COO]- 371.11611 182.4
[M+Na-2H]- 333.07693 173.4
[M]+ 312.10171 175.2
[M]- 312.10281 175.2
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

No patent data available for this compound.