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

57
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

literature stripe

Patent stripe

patents stripe