CID 2731061

N1-(1,3-thiazolan-2-yliden)-2-(3,4-dimethoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
COC1=C(C=C(C=C1)CCNC2=NCCS2)OC
InChI
InChI=1S/C13H18N2O2S/c1-16-11-4-3-10(9-12(11)17-2)5-6-14-13-15-7-8-18-13/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKey
GCTMZOOVTKJPJX-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

266.1089 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 159.4
[M+Na]+ 289.098118 166.8
[M-H]- 265.101624 165.0
[M+NH4]+ 284.142723 177.0
[M+K]+ 305.072058 163.5
[M+H-H2O]+ 249.106160 151.8
[M+HCOO]- 311.107101 178.7
[M+CH3COO]- 325.122751 196.1
[M+Na-2H]- 287.083566 160.7
[M]+ 266.10835142 163.3
[M]- 266.10944858 163.3
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

No patent data available for this compound.