CID 389273

Nsc685026

Structural Information

Molecular Formula
C17H17NS2
SMILES
C1CSC(SC1)C2=CC=CC=C2N=CC3=CC=CC=C3
InChI
InChI=1S/C17H17NS2/c1-2-7-14(8-3-1)13-18-16-10-5-4-9-15(16)17-19-11-6-12-20-17/h1-5,7-10,13,17H,6,11-12H2
InChIKey
LSSSWSPCPSQWFT-UHFFFAOYSA-N
Compound name
N-[2-(1,3-dithian-2-yl)phenyl]-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08023 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08751 164.3
[M+Na]+ 322.06945 169.9
[M-H]- 298.07295 173.7
[M+NH4]+ 317.11405 180.0
[M+K]+ 338.04339 163.1
[M+H-H2O]+ 282.07749 156.1
[M+HCOO]- 344.07843 177.2
[M+CH3COO]- 358.09408 174.8
[M+Na-2H]- 320.05490 166.2
[M]+ 299.07968 161.6
[M]- 299.08078 161.6
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.