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 154.3
[M+Na]+ 277.07699 164.9
[M-H]- 253.08049 161.6
[M+NH4]+ 272.12159 173.7
[M+K]+ 293.05093 159.0
[M+H-H2O]+ 237.08503 147.1
[M+HCOO]- 299.08597 175.4
[M+CH3COO]- 313.10162 167.7
[M+Na-2H]- 275.06244 159.5
[M]+ 254.08722 158.0
[M]- 254.08832 158.0
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