CID 21827417

51030-46-7

Structural Information

Molecular Formula
C11H14N2OS
SMILES
CCC(C)OC1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C11H14N2OS/c1-3-7(2)14-8-4-5-9-10(6-8)15-11(12)13-9/h4-7H,3H2,1-2H3,(H2,12,13)
InChIKey
RUIDVZJNQVPPNA-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 147.0
[M+Na]+ 245.07191 157.1
[M-H]- 221.07541 150.7
[M+NH4]+ 240.11651 167.6
[M+K]+ 261.04585 153.5
[M+H-H2O]+ 205.07995 140.9
[M+HCOO]- 267.08089 166.2
[M+CH3COO]- 281.09654 190.2
[M+Na-2H]- 243.05736 149.7
[M]+ 222.08214 151.5
[M]- 222.08324 151.5
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.