CID 360208

Brn 5614369

Structural Information

Molecular Formula
C19H11N3OS2
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)N=C(S4)C5=CC=CC=C5
InChI
InChI=1S/C19H11N3OS2/c23-18-14-11-15(12-7-3-1-4-8-12)24-17(14)20-19-22(18)21-16(25-19)13-9-5-2-6-10-13/h1-11H
InChIKey
ZJENAUVDXNVXPT-UHFFFAOYSA-N
Compound name
5,11-diphenyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.03436 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04164 180.6
[M+Na]+ 384.02358 197.1
[M-H]- 360.02708 191.1
[M+NH4]+ 379.06818 196.8
[M+K]+ 399.99752 188.9
[M+H-H2O]+ 344.03162 174.5
[M+HCOO]- 406.03256 196.0
[M+CH3COO]- 420.04821 193.6
[M+Na-2H]- 382.00903 182.9
[M]+ 361.03381 189.0
[M]- 361.03491 189.0
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.