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 153.4
[M+Na]+ 279.05627 164.5
[M-H]- 255.05977 160.9
[M+NH4]+ 274.10087 172.5
[M+K]+ 295.03021 158.7
[M+H-H2O]+ 239.06431 146.3
[M+HCOO]- 301.06525 175.1
[M+CH3COO]- 315.08090 167.0
[M+Na-2H]- 277.04172 159.2
[M]+ 256.06650 157.4
[M]- 256.06760 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.