CID 476257

Chembl48690

Structural Information

Molecular Formula
C15H13N5O
SMILES
CCN1C2=C(C=CC(=O)N2)N3C=CN=C3C4=C1N=CC=C4
InChI
InChI=1S/C15H13N5O/c1-2-19-13-10(4-3-7-16-13)14-17-8-9-20(14)11-5-6-12(21)18-15(11)19/h3-9H,2H2,1H3,(H,18,21)
InChIKey
SWEZGLPRLJEJOQ-UHFFFAOYSA-N
Compound name
13-ethyl-2,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,17-heptaen-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.112 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11928 166.2
[M+Na]+ 302.10122 178.4
[M-H]- 278.10472 167.6
[M+NH4]+ 297.14582 179.5
[M+K]+ 318.07516 174.4
[M+H-H2O]+ 262.10926 155.9
[M+HCOO]- 324.11020 181.0
[M+CH3COO]- 338.12585 176.6
[M+Na-2H]- 300.08667 172.9
[M]+ 279.11145 165.5
[M]- 279.11255 165.5
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.