CID 215262

Brn 1166199

Structural Information

Molecular Formula
C20H22N2O3S
SMILES
CC1=CC=CC=C1N=C2N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H22N2O3S/c1-14-6-4-5-7-16(14)21-20-22(19(23)13-26-20)11-10-15-8-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11,13H2,1-3H3
InChIKey
CTXKSPKRNPJNAX-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1351 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14238 188.3
[M+Na]+ 393.12432 196.2
[M-H]- 369.12782 198.5
[M+NH4]+ 388.16892 202.3
[M+K]+ 409.09826 191.4
[M+H-H2O]+ 353.13236 179.2
[M+HCOO]- 415.13330 207.2
[M+CH3COO]- 429.14895 219.7
[M+Na-2H]- 391.10977 186.0
[M]+ 370.13455 193.6
[M]- 370.13565 193.6
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.