CID 466845

192189-27-8

Structural Information

Molecular Formula
C22H18FN5O
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=CNC5=C4C=C(C=C5)F)C
InChI
InChI=1S/C22H18FN5O/c1-3-28-20-14(5-4-10-24-20)22(29)27(2)19-9-8-18(26-21(19)28)16-12-25-17-7-6-13(23)11-15(16)17/h4-12,25H,3H2,1-2H3
InChIKey
CTZQRKLSJGUVRV-UHFFFAOYSA-N
Compound name
2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.14954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15682 198.1
[M+Na]+ 410.13876 211.1
[M-H]- 386.14226 201.8
[M+NH4]+ 405.18336 207.4
[M+K]+ 426.11270 204.9
[M+H-H2O]+ 370.14680 185.8
[M+HCOO]- 432.14774 210.5
[M+CH3COO]- 446.16339 206.6
[M+Na-2H]- 408.12421 200.4
[M]+ 387.14899 197.3
[M]- 387.15009 197.3
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

No patent data available for this compound.