CID 3051943

Brn 1176143

Structural Information

Molecular Formula
C24H16ClN3S2
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H16ClN3S2/c25-19-10-6-18(7-11-19)23-27-21(14-29-23)17-8-12-20(13-9-17)26-24-28-22(15-30-24)16-4-2-1-3-5-16/h1-15H,(H,26,28)
InChIKey
SRNMLVDKFPVPPD-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.04742 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.05470 201.8
[M+Na]+ 468.03664 214.8
[M-H]- 444.04014 216.7
[M+NH4]+ 463.08124 213.9
[M+K]+ 484.01058 204.6
[M+H-H2O]+ 428.04468 193.9
[M+HCOO]- 490.04562 214.4
[M+CH3COO]- 504.06127 212.7
[M+Na-2H]- 466.02209 200.2
[M]+ 445.04687 207.9
[M]- 445.04797 207.9
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.