CID 1592057

2-(1-ethyl-2-oxo-1,2-dihydro-3h-indol-3-ylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C19H13N3O2S
SMILES
CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C5=CC=CC=C5N=C4S3)/C1=O
InChI
InChI=1S/C19H13N3O2S/c1-2-21-13-9-5-3-7-11(13)15(17(21)23)16-18(24)22-14-10-6-4-8-12(14)20-19(22)25-16/h3-10H,2H2,1H3/b16-15-
InChIKey
LXIYZEUXGSFBNT-NXVVXOECSA-N
Compound name
(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.07285 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08013 182.7
[M+Na]+ 370.06207 198.7
[M-H]- 346.06557 191.9
[M+NH4]+ 365.10667 202.2
[M+K]+ 386.03601 191.9
[M+H-H2O]+ 330.07011 177.3
[M+HCOO]- 392.07105 201.1
[M+CH3COO]- 406.08670 196.0
[M+Na-2H]- 368.04752 181.4
[M]+ 347.07230 191.6
[M]- 347.07340 191.6
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.