CID 3805326

374096-46-5

Structural Information

Molecular Formula
C20H19ClN2OS
SMILES
C1CC(OC1)CN2C(=CSC2=NC3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H19ClN2OS/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/h1-3,5-6,8-11,14,18H,4,7,12-13H2
InChIKey
HZDJXFMKBTWMHC-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09067 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09795 189.1
[M+Na]+ 393.07989 198.2
[M-H]- 369.08339 203.0
[M+NH4]+ 388.12449 204.1
[M+K]+ 409.05383 192.3
[M+H-H2O]+ 353.08793 181.1
[M+HCOO]- 415.08887 204.4
[M+CH3COO]- 429.10452 200.6
[M+Na-2H]- 391.06534 186.8
[M]+ 370.09012 192.8
[M]- 370.09122 192.8
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.