CID 15956091

Chembl372077

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC=CS2)OC)C
InChI
InChI=1S/C15H18N2O2S/c1-11(2)6-8-19-14-10-12(4-5-13(14)18-3)17-15-16-7-9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKey
DDDNNIIOHMDTCZ-UHFFFAOYSA-N
Compound name
N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

290.1089 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.116176 167.2
[M+Na]+ 313.098118 174.6
[M-H]- 289.101624 173.0
[M+NH4]+ 308.142723 183.7
[M+K]+ 329.072058 170.6
[M+H-H2O]+ 273.106160 159.4
[M+HCOO]- 335.107101 186.3
[M+CH3COO]- 349.122751 201.7
[M+Na-2H]- 311.083566 167.3
[M]+ 290.10835142 171.8
[M]- 290.10944858 171.8
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