CID 51352972

Chembl3526621

Structural Information

Molecular Formula
C19H19FN4O4
SMILES
CC1=C2C(=NC=NN2C=C1OC[C@@H](C)O)OC3=C(C4=C(C=C3)NC(=C4)CO)F
InChI
InChI=1S/C19H19FN4O4/c1-10(26)8-27-16-6-24-18(11(16)2)19(21-9-22-24)28-15-4-3-14-13(17(15)20)5-12(7-25)23-14/h3-6,9-10,23,25-26H,7-8H2,1-2H3/t10-/m1/s1
InChIKey
NRYXTTFKQXSWLA-SNVBAGLBSA-N
Compound name
(2R)-1-[4-[[4-fluoro-2-(hydroxymethyl)-1H-indol-5-yl]oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

386.13904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14632 188.6
[M+Na]+ 409.12826 200.0
[M-H]- 385.13176 189.5
[M+NH4]+ 404.17286 199.0
[M+K]+ 425.10220 193.7
[M+H-H2O]+ 369.13630 179.3
[M+HCOO]- 431.13724 203.8
[M+CH3COO]- 445.15289 197.9
[M+Na-2H]- 407.11371 188.9
[M]+ 386.13849 194.5
[M]- 386.13959 194.5
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.