CID 57785

Benzothiazole, 6-methoxy-2-(2-oxazolin-2-ylamino)-

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC3=NCCO3
InChI
InChI=1S/C11H11N3O2S/c1-15-7-2-3-8-9(6-7)17-11(13-8)14-10-12-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,12,13,14)
InChIKey
FHZAOBGXAXTJLV-UHFFFAOYSA-N
Compound name
N-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 150.1
[M+Na]+ 272.04642 161.4
[M-H]- 248.04992 157.5
[M+NH4]+ 267.09102 169.0
[M+K]+ 288.02036 159.3
[M+H-H2O]+ 232.05446 143.8
[M+HCOO]- 294.05540 170.5
[M+CH3COO]- 308.07105 164.2
[M+Na-2H]- 270.03187 154.3
[M]+ 249.05665 155.9
[M]- 249.05775 155.9
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.