CID 362999

Nsc627527

Structural Information

Molecular Formula
C10H13N3O2S2
SMILES
COC(=O)C1CSC(=N1)C2=CSC(=N2)CCN
InChI
InChI=1S/C10H13N3O2S2/c1-15-10(14)7-5-17-9(13-7)6-4-16-8(12-6)2-3-11/h4,7H,2-3,5,11H2,1H3
InChIKey
DKKDYACKXPBNBA-UHFFFAOYSA-N
Compound name
methyl 2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04492 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05220 158.5
[M+Na]+ 294.03414 167.6
[M-H]- 270.03764 163.0
[M+NH4]+ 289.07874 176.4
[M+K]+ 310.00808 164.0
[M+H-H2O]+ 254.04218 152.2
[M+HCOO]- 316.04312 171.3
[M+CH3COO]- 330.05877 194.2
[M+Na-2H]- 292.01959 154.9
[M]+ 271.04437 161.6
[M]- 271.04547 161.6
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.