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]+ 303.091016 167.6
[M+Na]+ 325.072958 177.7
[M-H]- 301.076464 173.2
[M+NH4]+ 320.117563 184.0
[M+K]+ 341.046898 174.3
[M+H-H2O]+ 285.081000 160.0
[M+HCOO]- 347.081941 185.8
[M+CH3COO]- 361.097591 179.7
[M+Na-2H]- 323.058406 168.5
[M]+ 302.08319142 173.7
[M]- 302.08428858 173.7
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