CID 2525957

4-chloro-2-[(2-methoxyphenyl)amino]-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
COC1=CC=CC=C1NC2=NC(=C(S2)C=O)Cl
InChI
InChI=1S/C11H9ClN2O2S/c1-16-8-5-3-2-4-7(8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14)
InChIKey
WDVNWTFTIIZYPV-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-methoxyanilino)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

268.00732 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.014596 155.6
[M+Na]+ 290.996538 166.6
[M-H]- 267.000044 162.2
[M+NH4]+ 286.041143 174.2
[M+K]+ 306.970478 161.3
[M+H-H2O]+ 251.004580 149.3
[M+HCOO]- 313.005521 172.4
[M+CH3COO]- 327.021171 194.5
[M+Na-2H]- 288.981986 157.5
[M]+ 268.00677142 161.8
[M]- 268.00786858 161.8
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

patents stripe