CID 53422708

94087-32-8

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
C1=CC=C2C(=C1)C(=NS2)OCN(CCO)CCO
InChI
InChI=1S/C12H16N2O3S/c15-7-5-14(6-8-16)9-17-12-10-3-1-2-4-11(10)18-13-12/h1-4,15-16H,5-9H2
InChIKey
XNVDNLONLAEARB-UHFFFAOYSA-N
Compound name
2-[1,2-benzothiazol-3-yloxymethyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08817 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.095446 156.9
[M+Na]+ 291.077388 164.6
[M-H]- 267.080894 159.0
[M+NH4]+ 286.121993 174.6
[M+K]+ 307.051328 161.5
[M+H-H2O]+ 251.085430 150.2
[M+HCOO]- 313.086371 175.3
[M+CH3COO]- 327.102021 194.2
[M+Na-2H]- 289.062836 160.8
[M]+ 268.08762142 163.2
[M]- 268.08871858 163.2
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.