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]+ 260.048806 155.5
[M+Na]+ 282.030748 166.4
[M-H]- 258.034254 162.0
[M+NH4]+ 277.075353 175.1
[M+K]+ 298.004688 162.2
[M+H-H2O]+ 242.038790 149.0
[M+HCOO]- 304.039731 175.1
[M+CH3COO]- 318.055381 168.7
[M+Na-2H]- 280.016196 157.0
[M]+ 259.04098142 158.7
[M]- 259.04207858 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.