CID 3043287

Brn 1014601

Structural Information

Molecular Formula
C12H11N5OS
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)CC3=NNN=N3
InChI
InChI=1S/C12H11N5OS/c1-18-10-4-2-8(3-5-10)12-13-9(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17)
InChIKey
DEQSTBYMHOPLAB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07570 157.9
[M+Na]+ 296.05764 172.3
[M+NH4]+ 291.10224 164.8
[M+K]+ 312.03158 167.6
[M-H]- 272.06114 160.5
[M+Na-2H]- 294.04309 166.7
[M]+ 273.06787 161.1
[M]- 273.06897 161.1
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.