CID 601939

Brn 5822097

Structural Information

Molecular Formula
C9H11N5O2S
SMILES
CCOC(=O)CSC1=NC(=CC2=NC=NN21)N
InChI
InChI=1S/C9H11N5O2S/c1-2-16-8(15)4-17-9-13-6(10)3-7-11-5-12-14(7)9/h3,5H,2,4,10H2,1H3
InChIKey
MLSQQOIXPMVPAA-UHFFFAOYSA-N
Compound name
ethyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06334 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07062 153.8
[M+Na]+ 276.05256 165.1
[M+NH4]+ 271.09716 159.8
[M+K]+ 292.02650 160.3
[M-H]- 252.05606 153.2
[M+Na-2H]- 274.03801 157.7
[M]+ 253.06279 155.3
[M]- 253.06389 155.3
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.