CID 369021

Nsc640550

Structural Information

Molecular Formula
C20H18N2O3S
SMILES
CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C=CC3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C20H18N2O3S/c1-13-19(26-20(21-13)22-15-6-4-3-5-7-15)17(24)11-9-14-8-10-16(23)18(12-14)25-2/h3-12,23H,1-2H3,(H,21,22)
InChIKey
OFVZCBQTOWOILR-UHFFFAOYSA-N
Compound name
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10382 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11110 186.3
[M+Na]+ 389.09304 194.1
[M-H]- 365.09654 194.3
[M+NH4]+ 384.13764 198.8
[M+K]+ 405.06698 187.7
[M+H-H2O]+ 349.10108 177.8
[M+HCOO]- 411.10202 204.1
[M+CH3COO]- 425.11767 214.0
[M+Na-2H]- 387.07849 184.9
[M]+ 366.10327 189.8
[M]- 366.10437 189.8
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.