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]+ 221.03793 148.5
[M+Na]+ 243.01987 162.8
[M-H]- 219.02337 152.8
[M+NH4]+ 238.06447 167.9
[M+K]+ 258.99381 158.8
[M+H-H2O]+ 203.02791 136.2
[M+HCOO]- 265.02885 165.3
[M+CH3COO]- 279.04450 198.2
[M+Na-2H]- 241.00532 152.2
[M]+ 220.03010 150.8
[M]- 220.03120 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.