CID 5387927

Nsc629809

Structural Information

Molecular Formula
C16H16N2S2
SMILES
C1C/C(=N/N=C/2\C3=C(SC=C3)CCC2)/C4=C(C1)SC=C4
InChI
InChI=1S/C16H16N2S2/c1-3-13(11-7-9-19-15(11)5-1)17-18-14-4-2-6-16-12(14)8-10-20-16/h7-10H,1-6H2/b17-13-,18-14-
InChIKey
HGGQKBODKMYGBR-JTFWXBGUSA-N
Compound name
(Z)-N-[(Z)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]-6,7-dihydro-5H-1-benzothiophen-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0755 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08278 165.1
[M+Na]+ 323.06472 174.0
[M-H]- 299.06822 175.7
[M+NH4]+ 318.10932 187.8
[M+K]+ 339.03866 168.7
[M+H-H2O]+ 283.07276 159.8
[M+HCOO]- 345.07370 181.2
[M+CH3COO]- 359.08935 177.6
[M+Na-2H]- 321.05017 166.8
[M]+ 300.07495 166.2
[M]- 300.07605 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.