CID 86687708

N-(4-methoxybenzyl)thiazol-4-amine

Structural Information

Molecular Formula
C11H12N2OS
SMILES
COC1=CC=C(C=C1)CNC2=CSC=N2
InChI
InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)6-12-11-7-15-8-13-11/h2-5,7-8,12H,6H2,1H3
InChIKey
HQOJXWIAYFGBHI-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 146.8
[M+Na]+ 243.05625 159.2
[M+NH4]+ 238.10085 156.0
[M+K]+ 259.03019 151.7
[M-H]- 219.05975 151.2
[M+Na-2H]- 241.04170 155.1
[M]+ 220.06648 150.2
[M]- 220.06758 150.2
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