CID 3051947

Brn 1181733

Structural Information

Molecular Formula
C25H19N3OS2
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C25H19N3OS2/c1-29-21-13-9-19(10-14-21)24-27-22(15-30-24)18-7-11-20(12-8-18)26-25-28-23(16-31-25)17-5-3-2-4-6-17/h2-16H,1H3,(H,26,28)
InChIKey
QYCPUSIFGVNISX-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-methoxyphenyl)-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

441.09695 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.10423 201.4
[M+Na]+ 464.08617 212.9
[M-H]- 440.08967 216.2
[M+NH4]+ 459.13077 212.5
[M+K]+ 480.06011 204.1
[M+H-H2O]+ 424.09421 193.0
[M+HCOO]- 486.09515 218.3
[M+CH3COO]- 500.11080 212.1
[M+Na-2H]- 462.07162 200.2
[M]+ 441.09640 206.7
[M]- 441.09750 206.7
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.