CID 476252

Chembl48637

Structural Information

Molecular Formula
C15H13N5
SMILES
CCN1C2=C(C=CC=N2)C3=NC=CN3C4=C1N=CC=C4
InChI
InChI=1S/C15H13N5/c1-2-19-13-11(5-3-7-16-13)14-18-9-10-20(14)12-6-4-8-17-15(12)19/h3-10H,2H2,1H3
InChIKey
RVHSEJPAUOEVKQ-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),8,10,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1171 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12438 161.7
[M+Na]+ 286.10632 173.4
[M-H]- 262.10982 163.9
[M+NH4]+ 281.15092 176.1
[M+K]+ 302.08026 169.7
[M+H-H2O]+ 246.11436 150.8
[M+HCOO]- 308.11530 177.6
[M+CH3COO]- 322.13095 172.6
[M+Na-2H]- 284.09177 169.5
[M]+ 263.11655 161.5
[M]- 263.11765 161.5
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.