CID 135505115

Nsc684381

Structural Information

Molecular Formula
C13H8N4O2S
SMILES
C1=C/C(=C/C2=C(N3C(=C(SC3=N2)C#N)N)O)/C(=O)C=C1
InChI
InChI=1S/C13H8N4O2S/c14-6-10-11(15)17-12(19)8(16-13(17)20-10)5-7-3-1-2-4-9(7)18/h1-5,19H,15H2/b7-5-
InChIKey
APYSOOSMIUKATO-ALCCZGGFSA-N
Compound name
3-amino-5-hydroxy-6-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]imidazo[2,1-b][1,3]thiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0368 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04408 171.2
[M+Na]+ 307.02602 185.3
[M-H]- 283.02952 175.2
[M+NH4]+ 302.07062 187.1
[M+K]+ 322.99996 178.1
[M+H-H2O]+ 267.03406 158.1
[M+HCOO]- 329.03500 185.6
[M+CH3COO]- 343.05065 181.7
[M+Na-2H]- 305.01147 169.8
[M]+ 284.03625 168.3
[M]- 284.03735 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.