CID 3502339

374548-96-6

Structural Information

Molecular Formula
C20H21ClN2S
SMILES
CCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21ClN2S/c1-2-3-7-14-23-19(16-10-12-17(21)13-11-16)15-24-20(23)22-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14H2,1H3
InChIKey
IQJSVVPWUHOEJL-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1114 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.118676 185.3
[M+Na]+ 379.100618 194.8
[M-H]- 355.104124 195.2
[M+NH4]+ 374.145223 200.8
[M+K]+ 395.074558 186.6
[M+H-H2O]+ 339.108660 176.5
[M+HCOO]- 401.109601 201.6
[M+CH3COO]- 415.125251 196.6
[M+Na-2H]- 377.086066 185.0
[M]+ 356.11085142 191.1
[M]- 356.11194858 191.1
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.