CID 3033467

Brn 2456852

Structural Information

Molecular Formula
C13H19ClN2S
SMILES
CCN(CC)CCNC(=S)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H19ClN2S/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKey
TVLBLZAZBIAQKQ-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(diethylamino)ethyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.09573 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10301 162.9
[M+Na]+ 293.08495 173.9
[M+NH4]+ 288.12955 171.8
[M+K]+ 309.05889 164.2
[M-H]- 269.08845 166.7
[M+Na-2H]- 291.07040 168.8
[M]+ 270.09518 166.2
[M]- 270.09628 166.2
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.