CID 2471296

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

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
COC1=CC=C(C=C1)NC2=NC(=C(S2)C=O)Cl
InChI
InChI=1S/C11H9ClN2O2S/c1-16-8-4-2-7(3-5-8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14)
InChIKey
NINIDNJOARBXJV-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

268.00732 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01460 155.6
[M+Na]+ 290.99654 166.6
[M-H]- 267.00004 162.2
[M+NH4]+ 286.04114 174.2
[M+K]+ 306.97048 161.3
[M+H-H2O]+ 251.00458 149.3
[M+HCOO]- 313.00552 172.4
[M+CH3COO]- 327.02117 194.5
[M+Na-2H]- 288.98199 157.5
[M]+ 268.00677 161.8
[M]- 268.00787 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

No literature data available for this compound.

Patent stripe

patents stripe