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]+ 437.072126 201.1
[M+Na]+ 459.054068 210.2
[M-H]- 435.057574 210.1
[M+NH4]+ 454.098673 212.5
[M+K]+ 475.028008 202.4
[M+H-H2O]+ 419.062110 193.3
[M+HCOO]- 481.063051 213.5
[M+CH3COO]- 495.078701 210.6
[M+Na-2H]- 457.039516 201.1
[M]+ 436.06430142 207.7
[M]- 436.06539858 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.