CID 3057936

1-propanamine, 3-((5-(2-chloroethyl)-4-methyl-2-thiazolyl)thio)-n,n-dimethyl-, hydrochloride,hydrate (1:2:2)

Structural Information

Molecular Formula
C11H19ClN2S2
SMILES
CC1=C(SC(=N1)SCCCN(C)C)CCCl
InChI
InChI=1S/C11H19ClN2S2/c1-9-10(5-6-12)16-11(13-9)15-8-4-7-14(2)3/h4-8H2,1-3H3
InChIKey
UQUGSTALVIFLHI-UHFFFAOYSA-N
Compound name
3-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07508 163.5
[M+Na]+ 301.05702 173.8
[M+NH4]+ 296.10162 172.5
[M+K]+ 317.03096 164.2
[M-H]- 277.06052 166.0
[M+Na-2H]- 299.04247 166.7
[M]+ 278.06725 166.8
[M]- 278.06835 166.8
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.