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 161.6
[M+Na]+ 313.00759 173.3
[M-H]- 289.01109 168.4
[M+NH4]+ 308.05219 181.1
[M+K]+ 328.98153 167.8
[M+H-H2O]+ 273.01563 156.9
[M+HCOO]- 335.01657 176.8
[M+CH3COO]- 349.03222 174.5
[M+Na-2H]- 310.99304 162.0
[M]+ 290.01782 167.2
[M]- 290.01892 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.