CID 680617

Nsc380510

Structural Information

Molecular Formula
C17H9N3O2S
SMILES
C1=CC=C2C(=C1)/C(=C\3/C(=O)N4C5=CC=CC=C5N=C4S3)/C(=O)N2
InChI
InChI=1S/C17H9N3O2S/c21-15-13(9-5-1-2-6-10(9)18-15)14-16(22)20-12-8-4-3-7-11(12)19-17(20)23-14/h1-8H,(H,18,21)/b14-13+
InChIKey
DVBSBOVUDQBXJS-BUHFOSPRSA-N
Compound name
(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.04153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04881 172.6
[M+Na]+ 342.03075 188.4
[M-H]- 318.03425 180.6
[M+NH4]+ 337.07535 192.4
[M+K]+ 358.00469 181.3
[M+H-H2O]+ 302.03879 167.7
[M+HCOO]- 364.03973 190.4
[M+CH3COO]- 378.05538 186.0
[M+Na-2H]- 340.01620 172.9
[M]+ 319.04098 179.0
[M]- 319.04208 179.0
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.