CID 321196

Nsc270739

Structural Information

Molecular Formula
C20H16N2S2
SMILES
C1=CC=C(C(=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC=C3S)S
InChI
InChI=1S/C20H16N2S2/c23-19-7-3-1-5-17(19)21-13-15-9-11-16(12-10-15)14-22-18-6-2-4-8-20(18)24/h1-14,23-24H
InChIKey
RQZGVAGCRIEKLM-UHFFFAOYSA-N
Compound name
2-[[4-[(2-sulfanylphenyl)iminomethyl]phenyl]methylideneamino]benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0755 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08278 179.3
[M+Na]+ 371.06472 188.1
[M-H]- 347.06822 191.2
[M+NH4]+ 366.10932 194.0
[M+K]+ 387.03866 179.9
[M+H-H2O]+ 331.07276 169.8
[M+HCOO]- 393.07370 197.6
[M+CH3COO]- 407.08935 190.7
[M+Na-2H]- 369.05017 181.9
[M]+ 348.07495 182.5
[M]- 348.07605 182.5
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.