CID 9568078

Ncgc00182983-01

Structural Information

Molecular Formula
C17H14N2S2
SMILES
CC1=CC=C(C=C1)/C=N/N2C(=CSC2=S)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2S2/c1-13-7-9-14(10-8-13)11-18-19-16(12-21-17(19)20)15-5-3-2-4-6-15/h2-12H,1H3/b18-11+
InChIKey
SRANDCPSMJNFCK-WOJGMQOQSA-N
Compound name
3-[(E)-(4-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

804
Patents

310.05984 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06712 169.4
[M+Na]+ 333.04906 180.7
[M-H]- 309.05256 180.0
[M+NH4]+ 328.09366 186.4
[M+K]+ 349.02300 172.8
[M+H-H2O]+ 293.05710 161.7
[M+HCOO]- 355.05804 186.3
[M+CH3COO]- 369.07369 182.0
[M+Na-2H]- 331.03451 169.5
[M]+ 310.05929 172.6
[M]- 310.06039 172.6
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.