CID 474626

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

Structural Information

Molecular Formula
C15H12N4O
SMILES
CCN1C2=C(C=CC=N2)C3=C(C4=C1N=CC=C4)OC=N3
InChI
InChI=1S/C15H12N4O/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
KDXAKNFDYFSOHW-UHFFFAOYSA-N
Compound name
13-ethyl-3-oxa-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

1
Patents

264.1011 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10838 159.1
[M+Na]+ 287.09032 170.7
[M-H]- 263.09382 163.1
[M+NH4]+ 282.13492 173.5
[M+K]+ 303.06426 168.8
[M+H-H2O]+ 247.09836 149.6
[M+HCOO]- 309.09930 175.6
[M+CH3COO]- 323.11495 170.8
[M+Na-2H]- 285.07577 167.4
[M]+ 264.10055 160.3
[M]- 264.10165 160.3
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

patents stripe