CID 203858

Brn 0798119

Structural Information

Molecular Formula
C12H15N3OS
SMILES
CCN(CC)C(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C12H15N3OS/c1-3-15(4-2)12(16)14-11-13-9-7-5-6-8-10(9)17-11/h5-8H,3-4H2,1-2H3,(H,13,14,16)
InChIKey
QUXUOKFFPQENCN-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09358 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10086 154.7
[M+Na]+ 272.08280 165.3
[M+NH4]+ 267.12740 163.2
[M+K]+ 288.05674 159.0
[M-H]- 248.08630 157.6
[M+Na-2H]- 270.06825 160.5
[M]+ 249.09303 157.3
[M]- 249.09413 157.3
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.