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

29
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

literature stripe

Patent stripe

patents stripe