CID 4962097

N-(2-ethylphenyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C15H14N2S
SMILES
CCC1=CC=CC=C1NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H14N2S/c1-2-11-7-3-4-8-12(11)16-15-17-13-9-5-6-10-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
InChIKey
VUTKSFZEVHGWTA-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.08777 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09505 154.8
[M+Na]+ 277.07699 170.2
[M+NH4]+ 272.12159 165.3
[M+K]+ 293.05093 160.7
[M-H]- 253.08049 161.0
[M+Na-2H]- 275.06244 164.8
[M]+ 254.08722 159.4
[M]- 254.08832 159.4
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

patents stripe