CID 384942

Nsc675766

Structural Information

Molecular Formula
C20H13N3OS2
SMILES
C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C20H13N3OS2/c24-19-15-11-17(14-9-5-2-6-10-14)26-18(15)21-20-23(19)22-16(12-25-20)13-7-3-1-4-8-13/h1-11H,12H2
InChIKey
OHFCMAKJCYLGAZ-UHFFFAOYSA-N
Compound name
5,12-diphenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

375.05002 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05730 182.5
[M+Na]+ 398.03924 196.0
[M-H]- 374.04274 190.9
[M+NH4]+ 393.08384 195.6
[M+K]+ 414.01318 187.1
[M+H-H2O]+ 358.04728 174.5
[M+HCOO]- 420.04822 193.6
[M+CH3COO]- 434.06387 193.4
[M+Na-2H]- 396.02469 186.0
[M]+ 375.04947 186.9
[M]- 375.05057 186.9
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

patents stripe