CID 49931979

N-(2,4-dimethoxybenzyl)thiazol-2-amine

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
COC1=CC(=C(C=C1)CNC2=NC=CS2)OC
InChI
InChI=1S/C12H14N2O2S/c1-15-10-4-3-9(11(7-10)16-2)8-14-12-13-5-6-17-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKey
XLLWLGOTZJZAHB-UHFFFAOYSA-N
Compound name
N-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

250.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 153.5
[M+Na]+ 273.06682 162.3
[M-H]- 249.07032 159.7
[M+NH4]+ 268.11142 171.8
[M+K]+ 289.04076 159.0
[M+H-H2O]+ 233.07486 146.1
[M+HCOO]- 295.07580 174.6
[M+CH3COO]- 309.09145 193.4
[M+Na-2H]- 271.05227 156.2
[M]+ 250.07705 158.5
[M]- 250.07815 158.5
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