CID 3133052

5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H12N2OS
SMILES
COC1=CC=C(C=C1)CC2=CN=C(S2)N
InChI
InChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)6-10-7-13-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKey
MSYFQOUPMXMROC-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

18
Patents

220.06703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 146.1
[M+Na]+ 243.056248 155.6
[M-H]- 219.059754 152.0
[M+NH4]+ 238.100853 165.5
[M+K]+ 259.030188 151.7
[M+H-H2O]+ 203.064290 139.2
[M+HCOO]- 265.065231 166.7
[M+CH3COO]- 279.080881 187.8
[M+Na-2H]- 241.041696 148.2
[M]+ 220.06648142 148.4
[M]- 220.06757858 148.4
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