CID 3074598

4h-thieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-4-one, 2-phenyl-

Structural Information

Molecular Formula
C18H10N2O2S
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)C5=CC=CC=C5O4
InChI
InChI=1S/C18H10N2O2S/c21-17-12-10-15(11-6-2-1-3-7-11)23-16(12)19-18-20(17)13-8-4-5-9-14(13)22-18/h1-10H
InChIKey
RGESEFKZFPMQNI-UHFFFAOYSA-N
Compound name
13-phenyl-8-oxa-12-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0463 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05358 167.7
[M+Na]+ 341.03552 186.7
[M+NH4]+ 336.08012 178.2
[M+K]+ 357.00946 179.1
[M-H]- 317.03902 174.8
[M+Na-2H]- 339.02097 176.3
[M]+ 318.04575 173.3
[M]- 318.04685 173.3
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.