CID 3074594

13h-(1)benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro-

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)C5=CC=CC=C5O4
InChI
InChI=1S/C16H12N2O2S/c19-15-13-9-5-1-4-8-12(9)21-14(13)17-16-18(15)10-6-2-3-7-11(10)20-16/h2-3,6-7H,1,4-5,8H2
InChIKey
QJISXDXVUNJSLC-UHFFFAOYSA-N
Compound name
14-oxa-10-thia-1,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-3(11),4(9),12,15,17,19-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.06195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 162.2
[M+Na]+ 319.05117 178.8
[M+NH4]+ 314.09577 173.1
[M+K]+ 335.02511 172.1
[M-H]- 295.05467 167.3
[M+Na-2H]- 317.03662 167.0
[M]+ 296.06140 166.8
[M]- 296.06250 166.8
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.