CID 214839

Brn 1165390

Structural Information

Molecular Formula
C18H17ClN2O2S
SMILES
COC1=CC=CC=C1N=C2N(C(=O)CS2)CCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2O2S/c1-23-16-5-3-2-4-15(16)20-18-21(17(22)12-24-18)11-10-13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3
InChIKey
WHBAJSPCMVJZSX-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethyl]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.06992 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07720 184.3
[M+Na]+ 383.05914 193.3
[M-H]- 359.06264 194.4
[M+NH4]+ 378.10374 199.4
[M+K]+ 399.03308 186.7
[M+H-H2O]+ 343.06718 176.1
[M+HCOO]- 405.06812 199.1
[M+CH3COO]- 419.08377 214.0
[M+Na-2H]- 381.04459 182.9
[M]+ 360.06937 189.2
[M]- 360.07047 189.2
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.