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]+ 357.11868 185.3
[M+Na]+ 379.10062 194.8
[M-H]- 355.10412 195.2
[M+NH4]+ 374.14522 200.8
[M+K]+ 395.07456 186.6
[M+H-H2O]+ 339.10866 176.5
[M+HCOO]- 401.10960 201.6
[M+CH3COO]- 415.12525 196.6
[M+Na-2H]- 377.08607 185.0
[M]+ 356.11085 191.1
[M]- 356.11195 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.