CID 15983194

649736-37-8

Structural Information

Molecular Formula
C19H17FN4O3
SMILES
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OCC(=O)C)C
InChI
InChI=1S/C19H17FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,23H,8H2,1-3H3
InChIKey
YYEPDBKFCHASFG-UHFFFAOYSA-N
Compound name
1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

368.12848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13576 186.0
[M+Na]+ 391.11770 199.0
[M-H]- 367.12120 189.4
[M+NH4]+ 386.16230 198.5
[M+K]+ 407.09164 192.7
[M+H-H2O]+ 351.12574 176.2
[M+HCOO]- 413.12668 204.2
[M+CH3COO]- 427.14233 196.8
[M+Na-2H]- 389.10315 186.7
[M]+ 368.12793 193.3
[M]- 368.12903 193.3
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.