CID 989030

374092-82-7

Structural Information

Molecular Formula
C20H15ClN2OS
SMILES
C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC4=CC=CO4
InChI
InChI=1S/C20H15ClN2OS/c21-16-10-8-15(9-11-16)19-14-25-20(22-17-5-2-1-3-6-17)23(19)13-18-7-4-12-24-18/h1-12,14H,13H2
InChIKey
XSZSPGUINNFXLF-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.05936 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06664 187.2
[M+Na]+ 389.04858 199.4
[M-H]- 365.05208 202.3
[M+NH4]+ 384.09318 202.6
[M+K]+ 405.02252 193.0
[M+H-H2O]+ 349.05662 179.3
[M+HCOO]- 411.05756 206.6
[M+CH3COO]- 425.07321 200.2
[M+Na-2H]- 387.03403 187.5
[M]+ 366.05881 195.1
[M]- 366.05991 195.1
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.