CID 578640

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

Structural Information

Molecular Formula
C11H12N2OS
SMILES
COC1=CC=C(C=C1)CNC2=NC=CS2
InChI
InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-7H,8H2,1H3,(H,12,13)
InChIKey
YEBFQWDWWRXAOH-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

220.06703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 145.7
[M+Na]+ 243.056248 154.3
[M-H]- 219.059754 151.7
[M+NH4]+ 238.100853 165.0
[M+K]+ 259.030188 150.7
[M+H-H2O]+ 203.064290 138.4
[M+HCOO]- 265.065231 166.9
[M+CH3COO]- 279.080881 187.3
[M+Na-2H]- 241.041696 149.5
[M]+ 220.06648142 148.5
[M]- 220.06757858 148.5
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