CID 3708374

618072-03-0

Structural Information

Molecular Formula
C9H15N3O2S2
SMILES
CCN1C(=C(SC1=S)C(=O)NCCOC)N
InChI
InChI=1S/C9H15N3O2S2/c1-3-12-7(10)6(16-9(12)15)8(13)11-4-5-14-2/h3-5,10H2,1-2H3,(H,11,13)
InChIKey
AQFYLGFUWPTAAG-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-N-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

261.06058 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06786 155.2
[M+Na]+ 284.04980 163.6
[M-H]- 260.05330 157.3
[M+NH4]+ 279.09440 172.7
[M+K]+ 300.02374 158.7
[M+H-H2O]+ 244.05784 148.6
[M+HCOO]- 306.05878 168.8
[M+CH3COO]- 320.07443 197.7
[M+Na-2H]- 282.03525 152.8
[M]+ 261.06003 158.5
[M]- 261.06113 158.5
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.