CID 269362

Nsc110324

Structural Information

Molecular Formula
C20H12N6O2S2
SMILES
C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC5=NSN=C54
InChI
InChI=1S/C20H12N6O2S2/c27-19(21-13-3-1-5-15-17(13)25-29-23-15)11-7-9-12(10-8-11)20(28)22-14-4-2-6-16-18(14)26-30-24-16/h1-10H,(H,21,27)(H,22,28)
InChIKey
BSGNENVJWQNDML-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2,1,3-benzothiadiazol-4-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.04633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05361 191.3
[M+Na]+ 455.03555 203.4
[M-H]- 431.03905 200.0
[M+NH4]+ 450.08015 201.9
[M+K]+ 471.00949 196.1
[M+H-H2O]+ 415.04359 184.4
[M+HCOO]- 477.04453 205.2
[M+CH3COO]- 491.06018 201.4
[M+Na-2H]- 453.02100 196.0
[M]+ 432.04578 198.3
[M]- 432.04688 198.3
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.