CID 24807409

952490-01-6

Structural Information

Molecular Formula
C21H21FN4O3
SMILES
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC(=O)C(C)(C)C)C
InChI
InChI=1S/C21H21FN4O3/c1-11-8-13-14(25-11)6-7-15(17(13)22)28-19-18-12(2)16(9-26(18)24-10-23-19)29-20(27)21(3,4)5/h6-10,25H,1-5H3
InChIKey
PYHMJYZWTVHQDG-UHFFFAOYSA-N
Compound name
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

396.15976 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16704 197.9
[M+Na]+ 419.14898 210.4
[M-H]- 395.15248 201.5
[M+NH4]+ 414.19358 209.6
[M+K]+ 435.12292 204.4
[M+H-H2O]+ 379.15702 188.7
[M+HCOO]- 441.15796 213.7
[M+CH3COO]- 455.17361 208.0
[M+Na-2H]- 417.13443 198.6
[M]+ 396.15921 205.1
[M]- 396.16031 205.1
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