CID 4366786

1049753-99-2

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
CC1=CC(=C(C=C1Cl)C2=CSC(=N2)N)OC
InChI
InChI=1S/C11H11ClN2OS/c1-6-3-10(15-2)7(4-8(6)12)9-5-16-11(13)14-9/h3-5H,1-2H3,(H2,13,14)
InChIKey
QFESHQNQJGAFDQ-UHFFFAOYSA-N
Compound name
4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.02806 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 153.4
[M+Na]+ 277.01728 165.2
[M-H]- 253.02078 159.9
[M+NH4]+ 272.06188 172.8
[M+K]+ 292.99122 159.6
[M+H-H2O]+ 237.02532 147.6
[M+HCOO]- 299.02626 169.1
[M+CH3COO]- 313.04191 193.8
[M+Na-2H]- 275.00273 153.5
[M]+ 254.02751 158.3
[M]- 254.02861 158.3
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