CID 3043288

Brn 1025205

Structural Information

Molecular Formula
C13H13N5O2S
SMILES
COC1=C(C=C(C=C1)C2=NC(=CS2)CC3=NNN=N3)OC
InChI
InChI=1S/C13H13N5O2S/c1-19-10-4-3-8(5-11(10)20-2)13-14-9(7-21-13)6-12-15-17-18-16-12/h3-5,7H,6H2,1-2H3,(H,15,16,17,18)
InChIKey
DHYHEJDJHVWFTD-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.079 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08628 166.6
[M+Na]+ 326.06822 180.6
[M+NH4]+ 321.11282 172.7
[M+K]+ 342.04216 176.5
[M-H]- 302.07172 168.8
[M+Na-2H]- 324.05367 174.4
[M]+ 303.07845 169.6
[M]- 303.07955 169.6
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.