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

32
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

literature stripe

Patent stripe

patents stripe