CID 17244957

6-(2-methoxyethoxy)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
COCCOC1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C10H12N2O2S/c1-13-4-5-14-7-2-3-8-9(6-7)15-10(11)12-8/h2-3,6H,4-5H2,1H3,(H2,11,12)
InChIKey
WXNYZVXNKFBVDS-UHFFFAOYSA-N
Compound name
6-(2-methoxyethoxy)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.06195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 144.8
[M+Na]+ 247.05117 155.5
[M-H]- 223.05467 148.6
[M+NH4]+ 242.09577 165.3
[M+K]+ 263.02511 152.2
[M+H-H2O]+ 207.05921 138.7
[M+HCOO]- 269.06015 165.7
[M+CH3COO]- 283.07580 188.4
[M+Na-2H]- 245.03662 149.3
[M]+ 224.06140 151.0
[M]- 224.06250 151.0
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