CID 118577045

Mk-6240

Structural Information

Molecular Formula
C16H11FN4
SMILES
C1=CC(=C(C2=CC(=NC=C21)N3C=CC4=C3C=NC=C4)N)F
InChI
InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
InChIKey
KAXAUWZJVWGFDO-UHFFFAOYSA-N
Compound name
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

56
Patents

278.09677 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10405 161.8
[M+Na]+ 301.08599 174.3
[M-H]- 277.08949 166.0
[M+NH4]+ 296.13059 177.4
[M+K]+ 317.05993 166.7
[M+H-H2O]+ 261.09403 151.3
[M+HCOO]- 323.09497 182.5
[M+CH3COO]- 337.11062 173.9
[M+Na-2H]- 299.07144 168.9
[M]+ 278.09622 161.9
[M]- 278.09732 161.9
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