CID 135492417

4-[(6-ethoxy-benzothiazol-2-ylimino)-methyl]-phenol

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C16H14N2O2S/c1-2-20-13-7-8-14-15(9-13)21-16(18-14)17-10-11-3-5-12(19)6-4-11/h3-10,19H,2H2,1H3/b17-10+
InChIKey
BAOMWZMIJKEQBM-LICLKQGHSA-N
Compound name
4-[(E)-(6-ethoxy-1,3-benzothiazol-2-yl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0776 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 166.0
[M+Na]+ 321.06682 176.8
[M-H]- 297.07032 173.5
[M+NH4]+ 316.11142 183.6
[M+K]+ 337.04076 171.2
[M+H-H2O]+ 281.07486 158.5
[M+HCOO]- 343.07580 187.2
[M+CH3COO]- 357.09145 178.8
[M+Na-2H]- 319.05227 170.2
[M]+ 298.07705 172.3
[M]- 298.07815 172.3
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

No patent data available for this compound.