CID 272893

22258-65-7

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1=CC=C(C=C1)NCN2C3=CC=CC=C3SC2=O
InChI
InChI=1S/C14H12N2OS/c17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9,15H,10H2
InChIKey
CUPKRXVVSOYRGV-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06705 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 153.8
[M+Na]+ 279.05627 169.0
[M+NH4]+ 274.10087 163.7
[M+K]+ 295.03021 160.1
[M-H]- 255.05977 159.4
[M+Na-2H]- 277.04172 163.5
[M]+ 256.06650 158.2
[M]- 256.06760 158.2
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.