CID 46375

64036-73-3

Structural Information

Molecular Formula
C13H17Cl2N3S
SMILES
CCN(CC)CCNC1=C(C=C(C2=C1SC=N2)Cl)Cl
InChI
InChI=1S/C13H17Cl2N3S/c1-3-18(4-2)6-5-16-11-9(14)7-10(15)12-13(11)19-8-17-12/h7-8,16H,3-6H2,1-2H3
InChIKey
FCMPBYATLVVWQB-UHFFFAOYSA-N
Compound name
N-(4,6-dichloro-1,3-benzothiazol-7-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.05203 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05931 170.3
[M+Na]+ 340.04125 180.7
[M-H]- 316.04475 174.9
[M+NH4]+ 335.08585 189.1
[M+K]+ 356.01519 174.5
[M+H-H2O]+ 300.04929 164.7
[M+HCOO]- 362.05023 181.7
[M+CH3COO]- 376.06588 211.2
[M+Na-2H]- 338.02670 171.7
[M]+ 317.05148 179.2
[M]- 317.05258 179.2
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.