CID 1489963

Gsk2210875

Structural Information

Molecular Formula
C14H14N4O2S
SMILES
CC1=C(SC2=NC=NN12)[C@@H](C)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKey
AOUUMBPBMVOBSP-SNVBAGLBSA-N
Compound name
[(1R)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

302.08374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09102 166.4
[M+Na]+ 325.07296 177.9
[M+NH4]+ 320.11756 173.4
[M+K]+ 341.04690 174.3
[M-H]- 301.07646 168.5
[M+Na-2H]- 323.05841 172.3
[M]+ 302.08319 168.9
[M]- 302.08429 168.9
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

patents stripe