CID 230981

N-phenyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C13H10N2S
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H10N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H,14,15)
InChIKey
QDTDFSFRIDFTCF-UHFFFAOYSA-N
Compound name
N-phenyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

261
Patents

226.05647 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06375 144.8
[M+Na]+ 249.04569 155.5
[M-H]- 225.04919 152.2
[M+NH4]+ 244.09029 165.1
[M+K]+ 265.01963 150.0
[M+H-H2O]+ 209.05373 137.9
[M+HCOO]- 271.05467 166.6
[M+CH3COO]- 285.07032 158.8
[M+Na-2H]- 247.03114 151.9
[M]+ 226.05592 147.5
[M]- 226.05702 147.5
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

patents stripe