CID 3032896

32417-61-1

Structural Information

Molecular Formula
C12H17ClN2S
SMILES
CN(C)CCCNC(=S)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H17ClN2S/c1-15(2)9-3-8-14-12(16)10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKey
PILJZDGYANGDJN-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-(dimethylamino)propyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0801 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08738 157.6
[M+Na]+ 279.06932 163.9
[M-H]- 255.07282 162.3
[M+NH4]+ 274.11392 176.1
[M+K]+ 295.04326 159.3
[M+H-H2O]+ 239.07736 151.5
[M+HCOO]- 301.07830 172.7
[M+CH3COO]- 315.09395 201.5
[M+Na-2H]- 277.05477 158.6
[M]+ 256.07955 161.3
[M]- 256.08065 161.3
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.