CID 45077733

4,6-dimethoxybenzo[d]thiazole-2-carbonitrile

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
COC1=CC(=C2C(=C1)SC(=N2)C#N)OC
InChI
InChI=1S/C10H8N2O2S/c1-13-6-3-7(14-2)10-8(4-6)15-9(5-11)12-10/h3-4H,1-2H3
InChIKey
DHLBNMHRYBZROD-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-1,3-benzothiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.037926 148.5
[M+Na]+ 243.019868 162.8
[M-H]- 219.023374 152.8
[M+NH4]+ 238.064473 167.9
[M+K]+ 258.993808 158.8
[M+H-H2O]+ 203.027910 136.2
[M+HCOO]- 265.028851 165.3
[M+CH3COO]- 279.044501 198.2
[M+Na-2H]- 241.005316 152.2
[M]+ 220.03010142 150.8
[M]- 220.03119858 150.8
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.