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]+ 257.074326 153.4
[M+Na]+ 279.056268 164.5
[M-H]- 255.059774 160.9
[M+NH4]+ 274.100873 172.5
[M+K]+ 295.030208 158.7
[M+H-H2O]+ 239.064310 146.3
[M+HCOO]- 301.065251 175.1
[M+CH3COO]- 315.080901 167.0
[M+Na-2H]- 277.041716 159.2
[M]+ 256.06650142 157.4
[M]- 256.06759858 157.4
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.