CID 135470090

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

Structural Information

Molecular Formula
C11H6BrN3OS
SMILES
C1=CC2=C(C=C1Br)C(=NC3=NC=CS3)C(=O)N2
InChI
InChI=1S/C11H6BrN3OS/c12-6-1-2-8-7(5-6)9(10(16)14-8)15-11-13-3-4-17-11/h1-5H,(H,13,14,15,16)
InChIKey
ULWBKOWIEXQYPQ-UHFFFAOYSA-N
Compound name
5-bromo-3-(1,3-thiazol-2-ylimino)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.9415 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.94878 152.7
[M+Na]+ 329.93072 167.6
[M-H]- 305.93422 162.0
[M+NH4]+ 324.97532 174.4
[M+K]+ 345.90466 155.2
[M+H-H2O]+ 289.93876 153.1
[M+HCOO]- 351.93970 170.7
[M+CH3COO]- 365.95535 168.1
[M+Na-2H]- 327.91617 156.6
[M]+ 306.94095 172.9
[M]- 306.94205 172.9
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.