CID 92944665

2-(1,3-benzothiazol-2-yl)-n-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C23H17ClN2O3S
SMILES
COC1=C(C=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\C(=O)NC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H17ClN2O3S/c1-29-20-11-6-14(13-19(20)27)12-17(22(28)25-16-9-7-15(24)8-10-16)23-26-18-4-2-3-5-21(18)30-23/h2-13,27H,1H3,(H,25,28)/b17-12+
InChIKey
JCOOESGRKXORAT-SFQUDFHCSA-N
Compound name
(E)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.06485 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.07213 201.1
[M+Na]+ 459.05407 210.2
[M-H]- 435.05757 210.1
[M+NH4]+ 454.09867 212.5
[M+K]+ 475.02801 202.4
[M+H-H2O]+ 419.06211 193.3
[M+HCOO]- 481.06305 213.5
[M+CH3COO]- 495.07870 210.6
[M+Na-2H]- 457.03952 201.1
[M]+ 436.06430 207.7
[M]- 436.06540 207.7
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.