CID 3802855

4-methoxy-2,7-dimethyl-1,3-benzothiazole

Structural Information

Molecular Formula
C10H11NOS
SMILES
CC1=C2C(=C(C=C1)OC)N=C(S2)C
InChI
InChI=1S/C10H11NOS/c1-6-4-5-8(12-3)9-10(6)13-7(2)11-9/h4-5H,1-3H3
InChIKey
GUEHFWNESJJRSP-UHFFFAOYSA-N
Compound name
4-methoxy-2,7-dimethyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

193.05614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06342 139.1
[M+Na]+ 216.04536 153.7
[M+NH4]+ 211.08996 149.2
[M+K]+ 232.01930 146.1
[M-H]- 192.04886 142.0
[M+Na-2H]- 214.03081 145.6
[M]+ 193.05559 142.7
[M]- 193.05669 142.7
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

patents stripe