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

22
Patents

193.05614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.063416 137.4
[M+Na]+ 216.045358 150.2
[M-H]- 192.048864 142.4
[M+NH4]+ 211.089963 160.4
[M+K]+ 232.019298 147.0
[M+H-H2O]+ 176.053400 132.2
[M+HCOO]- 238.054341 157.7
[M+CH3COO]- 252.069991 152.7
[M+Na-2H]- 214.030806 141.5
[M]+ 193.05559142 144.4
[M]- 193.05668858 144.4
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