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 160.2
[M+Na]+ 301.05702 168.8
[M-H]- 277.06052 164.0
[M+NH4]+ 296.10162 179.4
[M+K]+ 317.03096 163.9
[M+H-H2O]+ 261.06506 154.3
[M+HCOO]- 323.06600 169.2
[M+CH3COO]- 337.08165 202.6
[M+Na-2H]- 299.04247 157.3
[M]+ 278.06725 167.9
[M]- 278.06835 167.9
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.