CID 3051949

Brn 1186253

Structural Information

Molecular Formula
C25H18BrN3OS2
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C25H18BrN3OS2/c1-30-21-12-6-18(7-13-21)24-28-22(14-31-24)17-4-10-20(11-5-17)27-25-29-23(15-32-25)16-2-8-19(26)9-3-16/h2-15H,1H3,(H,27,29)
InChIKey
SRKSOIKBAUAUAX-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-[4-[2-(4-methoxyphenyl)-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

519.00745 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.01473 197.9
[M+Na]+ 541.99667 212.7
[M-H]- 518.00017 215.0
[M+NH4]+ 537.04127 210.6
[M+K]+ 557.97061 198.2
[M+H-H2O]+ 502.00471 197.5
[M+HCOO]- 564.00565 213.3
[M+CH3COO]- 578.02130 210.7
[M+Na-2H]- 539.98212 198.8
[M]+ 519.00690 221.6
[M]- 519.00800 221.6
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.