CID 3051940

Brn 1177482

Structural Information

Molecular Formula
C24H16BrN3S2
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H16BrN3S2/c25-19-10-6-16(7-11-19)22-15-30-24(28-22)26-20-12-8-17(9-13-20)21-14-29-23(27-21)18-4-2-1-3-5-18/h1-15H,(H,26,28)
InChIKey
MMAMIQLJRRLIKC-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-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

488.9969 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.00418 190.3
[M+Na]+ 511.98612 205.4
[M-H]- 487.98962 207.3
[M+NH4]+ 507.03072 204.2
[M+K]+ 527.96006 190.6
[M+H-H2O]+ 471.99416 190.3
[M+HCOO]- 533.99510 206.1
[M+CH3COO]- 548.01075 203.7
[M+Na-2H]- 509.97157 192.0
[M]+ 488.99635 212.3
[M]- 488.99745 212.3
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.