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]+ 299.084876 166.0
[M+Na]+ 321.066818 176.8
[M-H]- 297.070324 173.5
[M+NH4]+ 316.111423 183.6
[M+K]+ 337.040758 171.2
[M+H-H2O]+ 281.074860 158.5
[M+HCOO]- 343.075801 187.2
[M+CH3COO]- 357.091451 178.8
[M+Na-2H]- 319.052266 170.2
[M]+ 298.07705142 172.3
[M]- 298.07814858 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.