CID 57116692

3-(1,3-thiazol-2-yl)-4h-1,2,4-triazole

Structural Information

Molecular Formula
C5H4N4S
SMILES
C1=CSC(=N1)C2=NC=NN2
InChI
InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)
InChIKey
WFEGFRJBAYCOHP-UHFFFAOYSA-N
Compound name
2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

152.01567 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02295 125.1
[M+Na]+ 175.00489 137.5
[M-H]- 151.00839 127.1
[M+NH4]+ 170.04949 144.7
[M+K]+ 190.97883 134.6
[M+H-H2O]+ 135.01293 117.7
[M+HCOO]- 197.01387 144.1
[M+CH3COO]- 211.02952 139.5
[M+Na-2H]- 172.99034 129.1
[M]+ 152.01512 126.9
[M]- 152.01622 126.9
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