CID 1549680

Nsc380511

Structural Information

Molecular Formula
C18H11N3O2S
SMILES
CN1C2=CC=CC=C2/C(=C\3/C(=O)N4C5=CC=CC=C5N=C4S3)/C1=O
InChI
InChI=1S/C18H11N3O2S/c1-20-12-8-4-2-6-10(12)14(16(20)22)15-17(23)21-13-9-5-3-7-11(13)19-18(21)24-15/h2-9H,1H3/b15-14+
InChIKey
WISBQWLYOLSJBH-CCEZHUSRSA-N
Compound name
(2E)-2-(1-methyl-2-oxoindol-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

333.0572 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06448 178.3
[M+Na]+ 356.04642 194.8
[M-H]- 332.04992 187.7
[M+NH4]+ 351.09102 198.4
[M+K]+ 372.02036 188.2
[M+H-H2O]+ 316.05446 173.1
[M+HCOO]- 378.05540 197.0
[M+CH3COO]- 392.07105 192.0
[M+Na-2H]- 354.03187 177.5
[M]+ 333.05665 187.0
[M]- 333.05775 187.0
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.