CID 738658

4-amino-2-(1,3-benzothiazol-2-yl)phenol

Structural Information

Molecular Formula
C13H10N2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)N)O
InChI
InChI=1S/C13H10N2OS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChIKey
UBRCBHVOYDSGKZ-UHFFFAOYSA-N
Compound name
4-amino-2-(1,3-benzothiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

52
Patents

242.05139 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05867 149.4
[M+Na]+ 265.04061 161.1
[M-H]- 241.04411 155.6
[M+NH4]+ 260.08521 168.5
[M+K]+ 281.01455 155.0
[M+H-H2O]+ 225.04865 143.2
[M+HCOO]- 287.04959 169.2
[M+CH3COO]- 301.06524 162.9
[M+Na-2H]- 263.02606 153.8
[M]+ 242.05084 151.5
[M]- 242.05194 151.5
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

No patent data available for this compound.