CID 234669

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

Structural Information

Molecular Formula
C14H12N2OS
SMILES
COC1=CC=CC=C1NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H12N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2-9H,1H3,(H,15,16)
InChIKey
OAXDBPDAUUFQFJ-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

256.06705 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 153.4
[M+Na]+ 279.05627 164.2
[M-H]- 255.05977 160.9
[M+NH4]+ 274.10087 172.6
[M+K]+ 295.03021 159.1
[M+H-H2O]+ 239.06431 146.2
[M+HCOO]- 301.06525 175.0
[M+CH3COO]- 315.08090 167.0
[M+Na-2H]- 277.04172 159.3
[M]+ 256.06650 158.1
[M]- 256.06760 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

literature stripe

Patent stripe

patents stripe