CID 3051944

Brn 1182849

Structural Information

Molecular Formula
C24H15Cl2N3S2
SMILES
C1=CC(=CC=C1C2=CSC(=N2)C3=CC=C(C=C3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H15Cl2N3S2/c25-18-7-1-15(2-8-18)22-14-31-24(29-22)27-20-11-5-16(6-12-20)21-13-30-23(28-21)17-3-9-19(26)10-4-17/h1-14H,(H,27,29)
InChIKey
VAFAYSRSPNUTHO-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.00845 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.01573 209.1
[M+Na]+ 501.99767 222.6
[M-H]- 478.00117 223.4
[M+NH4]+ 497.04227 220.4
[M+K]+ 517.97161 212.2
[M+H-H2O]+ 462.00571 201.4
[M+HCOO]- 524.00665 216.4
[M+CH3COO]- 538.02230 219.2
[M+Na-2H]- 499.98312 205.9
[M]+ 479.00790 216.7
[M]- 479.00900 216.7
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.