CID 135521746

But-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine

Structural Information

Molecular Formula
C13H14ClN3S
SMILES
C=CCCN=C1NN=C(CS1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H14ClN3S/c1-2-3-8-15-13-17-16-12(9-18-13)10-4-6-11(14)7-5-10/h2,4-7H,1,3,8-9H2,(H,15,17)
InChIKey
ZVZPCRKQNRRBOQ-UHFFFAOYSA-N
Compound name
N-but-3-enyl-5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.0597 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06698 161.0
[M+Na]+ 302.04892 168.7
[M-H]- 278.05242 164.4
[M+NH4]+ 297.09352 175.4
[M+K]+ 318.02286 161.2
[M+H-H2O]+ 262.05696 153.0
[M+HCOO]- 324.05790 171.8
[M+CH3COO]- 338.07355 171.3
[M+Na-2H]- 300.03437 163.1
[M]+ 279.05915 160.5
[M]- 279.06025 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe