CID 392078

Nsc691893

Structural Information

Molecular Formula
C18H17NO2S2
SMILES
C1COCCN1C(=S)CC2=CC3=C(C=C2)OC4=CC=CC=C4S3
InChI
InChI=1S/C18H17NO2S2/c22-18(19-7-9-20-10-8-19)12-13-5-6-15-17(11-13)23-16-4-2-1-3-14(16)21-15/h1-6,11H,7-10,12H2
InChIKey
LOEGMKXYDOIJSI-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-phenoxathiin-2-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.07007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07735 170.4
[M+Na]+ 366.05929 176.9
[M-H]- 342.06279 177.0
[M+NH4]+ 361.10389 182.3
[M+K]+ 382.03323 173.2
[M+H-H2O]+ 326.06733 163.1
[M+HCOO]- 388.06827 174.7
[M+CH3COO]- 402.08392 179.7
[M+Na-2H]- 364.04474 174.3
[M]+ 343.06952 170.0
[M]- 343.07062 170.0
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.