CID 474625

8-ethyl-thiazolo[4',5':6,5]dipyrido[2,3-b:3',2'-f]azepine

Structural Information

Molecular Formula
C15H12N4S
SMILES
CCN1C2=C(C=CC=N2)C3=C(C4=C1N=CC=C4)SC=N3
InChI
InChI=1S/C15H12N4S/c1-2-19-14-10(5-3-7-16-14)12-13(20-9-18-12)11-6-4-8-17-15(11)19/h3-9H,2H2,1H3
InChIKey
PQHFZLWREHCANG-UHFFFAOYSA-N
Compound name
13-ethyl-3-thia-5,11,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7(12),8,10,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07828 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08556 163.6
[M+Na]+ 303.06750 175.4
[M-H]- 279.07100 167.1
[M+NH4]+ 298.11210 179.5
[M+K]+ 319.04144 172.3
[M+H-H2O]+ 263.07554 155.3
[M+HCOO]- 325.07648 176.4
[M+CH3COO]- 339.09213 174.8
[M+Na-2H]- 301.05295 168.8
[M]+ 280.07773 165.3
[M]- 280.07883 165.3
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.