CID 373881

126830-81-7

Structural Information

Molecular Formula
C14H19N3O2S3
SMILES
C1CCC2=C(C1)N=C(S2)NC(=O)CSC(=S)N3CCOCC3
InChI
InChI=1S/C14H19N3O2S3/c18-12(9-21-14(20)17-5-7-19-8-6-17)16-13-15-10-3-1-2-4-11(10)22-13/h1-9H2,(H,15,16,18)
InChIKey
UZURKWYRKRDHNW-UHFFFAOYSA-N
Compound name
[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.06393 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07121 174.4
[M+Na]+ 380.05315 178.8
[M-H]- 356.05665 177.0
[M+NH4]+ 375.09775 186.2
[M+K]+ 396.02709 173.9
[M+H-H2O]+ 340.06119 168.8
[M+HCOO]- 402.06213 173.6
[M+CH3COO]- 416.07778 181.7
[M+Na-2H]- 378.03860 173.2
[M]+ 357.06338 171.1
[M]- 357.06448 171.1
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.