CID 16228178

2-[(2-methylphenyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C13H10N2O2S2
SMILES
CC1=CC=CC=C1NC2=NC3=C(S2)C=C(S3)C(=O)O
InChI
InChI=1S/C13H10N2O2S2/c1-7-4-2-3-5-8(7)14-13-15-11-9(19-13)6-10(18-11)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKey
GITXYRHFPBVZCK-UHFFFAOYSA-N
Compound name
2-(2-methylanilino)thieno[2,3-d][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.01837 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02565 160.9
[M+Na]+ 313.00759 172.3
[M+NH4]+ 308.05219 169.7
[M+K]+ 328.98153 166.1
[M-H]- 289.01109 164.5
[M+Na-2H]- 310.99304 166.5
[M]+ 290.01782 164.4
[M]- 290.01892 164.4
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.