CID 302451

Nsc187182

Structural Information

Molecular Formula
C17H18N2OS
SMILES
COC1=CC=CC=C1N2CCCSC2=NC3=CC=CC=C3
InChI
InChI=1S/C17H18N2OS/c1-20-16-11-6-5-10-15(16)19-12-7-13-21-17(19)18-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3
InChIKey
PJNXANUJCUVNDS-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-N-phenyl-1,3-thiazinan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

298.11398 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12126 167.8
[M+Na]+ 321.10320 173.6
[M-H]- 297.10670 176.6
[M+NH4]+ 316.14780 182.0
[M+K]+ 337.07714 168.5
[M+H-H2O]+ 281.11124 158.0
[M+HCOO]- 343.11218 184.9
[M+CH3COO]- 357.12783 178.5
[M+Na-2H]- 319.08865 170.6
[M]+ 298.11343 166.2
[M]- 298.11453 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

literature stripe

Patent stripe

No patent data available for this compound.