CID 135511273

5-methoxy-3-thiazol-2-ylimino-indolin-2-one

Structural Information

Molecular Formula
C12H9N3O2S
SMILES
COC1=CC2=C(C=C1)NC(=O)C2=NC3=NC=CS3
InChI
InChI=1S/C12H9N3O2S/c1-17-7-2-3-9-8(6-7)10(11(16)14-9)15-12-13-4-5-18-12/h2-6H,1H3,(H,13,14,15,16)
InChIKey
ZIDHKKWJPKSMCN-UHFFFAOYSA-N
Compound name
5-methoxy-3-(1,3-thiazol-2-ylimino)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.04153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04881 155.5
[M+Na]+ 282.03075 166.4
[M-H]- 258.03425 162.0
[M+NH4]+ 277.07535 175.1
[M+K]+ 298.00469 162.2
[M+H-H2O]+ 242.03879 149.0
[M+HCOO]- 304.03973 175.1
[M+CH3COO]- 318.05538 168.7
[M+Na-2H]- 280.01620 157.0
[M]+ 259.04098 158.7
[M]- 259.04208 158.7
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.