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

25
Patents

220.06703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 145.7
[M+Na]+ 243.05625 154.3
[M-H]- 219.05975 151.7
[M+NH4]+ 238.10085 165.0
[M+K]+ 259.03019 150.7
[M+H-H2O]+ 203.06429 138.4
[M+HCOO]- 265.06523 166.9
[M+CH3COO]- 279.08088 187.3
[M+Na-2H]- 241.04170 149.5
[M]+ 220.06648 148.5
[M]- 220.06758 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