CID 2396465

4-(chloromethyl)-n-(3-chlorophenyl)-3-(3-methoxypropyl)-2,3-dihydro-1,3-thiazol-2-imine

Structural Information

Molecular Formula
C14H16Cl2N2OS
SMILES
COCCCN1C(=CSC1=NC2=CC(=CC=C2)Cl)CCl
InChI
InChI=1S/C14H16Cl2N2OS/c1-19-7-3-6-18-13(9-15)10-20-14(18)17-12-5-2-4-11(16)8-12/h2,4-5,8,10H,3,6-7,9H2,1H3
InChIKey
VGWKYSJIBOLPFG-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04332 173.7
[M+Na]+ 353.02526 184.2
[M-H]- 329.02876 180.4
[M+NH4]+ 348.06986 191.0
[M+K]+ 368.99920 177.4
[M+H-H2O]+ 313.03330 167.1
[M+HCOO]- 375.03424 185.5
[M+CH3COO]- 389.04989 207.6
[M+Na-2H]- 351.01071 173.4
[M]+ 330.03549 182.1
[M]- 330.03659 182.1
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

No patent data available for this compound.