CID 205810

18678-30-3

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1CC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C15H12N2OS/c18-14-12-10-7-4-8-11(10)19-15(12)17-13(16-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17,18)
InChIKey
AAIHOQORNARFIA-UHFFFAOYSA-N
Compound name
10-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.074326 158.0
[M+Na]+ 291.056268 170.6
[M-H]- 267.059774 164.5
[M+NH4]+ 286.100873 178.1
[M+K]+ 307.030208 164.2
[M+H-H2O]+ 251.064310 152.1
[M+HCOO]- 313.065251 175.2
[M+CH3COO]- 327.080901 171.2
[M+Na-2H]- 289.041716 160.4
[M]+ 268.06650142 161.0
[M]- 268.06759858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.