CID 736970

46493-66-7

Structural Information

Molecular Formula
C13H10N2S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3SC2=N
InChI
InChI=1S/C13H10N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,14H
InChIKey
WMUQKQNUCODDCB-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-benzothiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

226.05647 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.063746 145.3
[M+Na]+ 249.045688 157.1
[M-H]- 225.049194 153.1
[M+NH4]+ 244.090293 165.8
[M+K]+ 265.019628 151.0
[M+H-H2O]+ 209.053730 138.6
[M+HCOO]- 271.054671 167.2
[M+CH3COO]- 285.070321 159.6
[M+Na-2H]- 247.031136 151.5
[M]+ 226.05592142 147.7
[M]- 226.05701858 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.