CID 3051952

68173-79-5

Structural Information

Molecular Formula
C25H19N3S2
SMILES
C1=CC=C(C=C1)CC2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C25H19N3S2/c1-3-7-18(8-4-1)15-24-27-22(16-29-24)20-11-13-21(14-12-20)26-25-28-23(17-30-25)19-9-5-2-6-10-19/h1-14,16-17H,15H2,(H,26,28)
InChIKey
BBSDFBZZVLTMAO-UHFFFAOYSA-N
Compound name
N-[4-(2-benzyl-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

425.10205 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10933 196.9
[M+Na]+ 448.09127 208.2
[M-H]- 424.09477 211.4
[M+NH4]+ 443.13587 208.6
[M+K]+ 464.06521 198.7
[M+H-H2O]+ 408.09931 188.6
[M+HCOO]- 470.10025 213.8
[M+CH3COO]- 484.11590 207.6
[M+Na-2H]- 446.07672 196.2
[M]+ 425.10150 200.6
[M]- 425.10260 200.6
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.