CID 3044318

Brn 1218292

Structural Information

Molecular Formula
C9H13N3O2S2
SMILES
CN1C(=C(SC1=S)C(=O)N2CCOCC2)N
InChI
InChI=1S/C9H13N3O2S2/c1-11-7(10)6(16-9(11)15)8(13)12-2-4-14-5-3-12/h2-5,10H2,1H3
InChIKey
QAXORWTXULABKE-UHFFFAOYSA-N
Compound name
(4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.04492 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05220 154.7
[M+Na]+ 282.03414 163.3
[M-H]- 258.03764 159.1
[M+NH4]+ 277.07874 169.9
[M+K]+ 298.00808 159.6
[M+H-H2O]+ 242.04218 148.4
[M+HCOO]- 304.04312 163.5
[M+CH3COO]- 318.05877 192.3
[M+Na-2H]- 280.01959 152.0
[M]+ 259.04437 153.7
[M]- 259.04547 153.7
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.