CID 476243

Chembl299555

Structural Information

Molecular Formula
C15H14N6
SMILES
CCN1C2=C(C=CC=N2)C3=NN=C(N3C4=C1N=CC=C4)C
InChI
InChI=1S/C15H14N6/c1-3-20-13-11(6-4-8-16-13)14-19-18-10(2)21(14)12-7-5-9-17-15(12)20/h4-9H,3H2,1-2H3
InChIKey
UGZCLRJACBWSJM-UHFFFAOYSA-N
Compound name
13-ethyl-3-methyl-2,4,5,11,13,15-hexazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.128 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13528 167.9
[M+Na]+ 301.11722 180.7
[M-H]- 277.12072 169.2
[M+NH4]+ 296.16182 180.7
[M+K]+ 317.09116 176.7
[M+H-H2O]+ 261.12526 156.0
[M+HCOO]- 323.12620 182.4
[M+CH3COO]- 337.14185 178.3
[M+Na-2H]- 299.10267 174.8
[M]+ 278.12745 168.6
[M]- 278.12855 168.6
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.