CID 3051941

Brn 1175405

Structural Information

Molecular Formula
C25H19N3S2
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=CC=C5
InChI
InChI=1S/C25H19N3S2/c1-17-7-9-18(10-8-17)23-16-30-25(28-23)26-21-13-11-19(12-14-21)22-15-29-24(27-22)20-5-3-2-4-6-20/h2-16H,1H3,(H,26,28)
InChIKey
RJKKCWPNCVKCSZ-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-N-[4-(2-phenyl-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

425.10205 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10933 194.1
[M+Na]+ 448.09127 212.1
[M+NH4]+ 443.13587 204.2
[M+K]+ 464.06521 201.0
[M-H]- 424.09477 205.6
[M+Na-2H]- 446.07672 208.5
[M]+ 425.10150 201.3
[M]- 425.10260 201.3
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.