CID 694151

216502-43-1

Structural Information

Molecular Formula
C14H12N2OS
SMILES
COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H12N2OS/c1-17-11-6-4-5-10(9-11)15-14-16-12-7-2-3-8-13(12)18-14/h2-9H,1H3,(H,15,16)
InChIKey
JCAWUKQDWALLIP-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

256.06705 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.074326 153.4
[M+Na]+ 279.056268 164.2
[M-H]- 255.059774 160.9
[M+NH4]+ 274.100873 172.6
[M+K]+ 295.030208 159.1
[M+H-H2O]+ 239.064310 146.2
[M+HCOO]- 301.065251 175.0
[M+CH3COO]- 315.080901 167.0
[M+Na-2H]- 277.041716 159.3
[M]+ 256.06650142 158.1
[M]- 256.06759858 158.1
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

patents stripe