CID 586810

170658-36-3

Structural Information

Molecular Formula
C8H7N5S
SMILES
C1=CN(C=N1)CC2=CSC3=NC=NN23
InChI
InChI=1S/C8H7N5S/c1-2-12(6-9-1)3-7-4-14-8-10-5-11-13(7)8/h1-2,4-6H,3H2
InChIKey
GXGCQYSZOWVLSV-UHFFFAOYSA-N
Compound name
6-(imidazol-1-ylmethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04222 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04950 138.8
[M+Na]+ 228.03144 153.9
[M-H]- 204.03494 143.1
[M+NH4]+ 223.07604 158.9
[M+K]+ 244.00538 151.2
[M+H-H2O]+ 188.03948 131.5
[M+HCOO]- 250.04042 159.4
[M+CH3COO]- 264.05607 153.8
[M+Na-2H]- 226.01689 141.5
[M]+ 205.04167 146.0
[M]- 205.04277 146.0
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.