CID 16205957

94087-35-1

Structural Information

Molecular Formula
C13H16N2OS
SMILES
C1CCN(C1)CCOC2=NSC3=CC=CC=C32
InChI
InChI=1S/C13H16N2OS/c1-2-6-12-11(5-1)13(14-17-12)16-10-9-15-7-3-4-8-15/h1-2,5-6H,3-4,7-10H2
InChIKey
HREWNDJVZGCYKC-UHFFFAOYSA-N
Compound name
3-(2-pyrrolidin-1-ylethoxy)-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.105606 154.6
[M+Na]+ 271.087548 163.9
[M-H]- 247.091054 160.2
[M+NH4]+ 266.132153 174.7
[M+K]+ 287.061488 160.4
[M+H-H2O]+ 231.095590 147.6
[M+HCOO]- 293.096531 172.4
[M+CH3COO]- 307.112181 167.3
[M+Na-2H]- 269.072996 155.8
[M]+ 248.09778142 158.0
[M]- 248.09887858 158.0
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

No patent data available for this compound.