CID 22726932

1,2,4-thiadiazole-3-acetic acid, 5-[(ethoxycarbonyl)amino]-, methyl ester

Structural Information

Molecular Formula
C8H11N3O4S
SMILES
CCOC(=O)NC1=NC(=NS1)CC(=O)OC
InChI
InChI=1S/C8H11N3O4S/c1-3-15-8(13)10-7-9-5(11-16-7)4-6(12)14-2/h3-4H2,1-2H3,(H,9,10,11,13)
InChIKey
WRUIUWMHBQJODA-UHFFFAOYSA-N
Compound name
methyl 2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

245.04703 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05431 152.0
[M+Na]+ 268.03625 159.7
[M-H]- 244.03975 153.5
[M+NH4]+ 263.08085 168.7
[M+K]+ 284.01019 158.9
[M+H-H2O]+ 228.04429 144.6
[M+HCOO]- 290.04523 170.0
[M+CH3COO]- 304.06088 189.7
[M+Na-2H]- 266.02170 152.8
[M]+ 245.04648 157.8
[M]- 245.04758 157.8
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

patents stripe