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]+ 291.025646 161.6
[M+Na]+ 313.007588 173.3
[M-H]- 289.011094 168.4
[M+NH4]+ 308.052193 181.1
[M+K]+ 328.981528 167.8
[M+H-H2O]+ 273.015630 156.9
[M+HCOO]- 335.016571 176.8
[M+CH3COO]- 349.032221 174.5
[M+Na-2H]- 310.993036 162.0
[M]+ 290.01782142 167.2
[M]- 290.01891858 167.2
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.