CID 3051945

Brn 1182843

Structural Information

Molecular Formula
C24H15BrClN3S2
SMILES
C1=CC(=CC=C1C2=CSC(=N2)C3=CC=C(C=C3)Cl)NC4=NC(=CS4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H15BrClN3S2/c25-18-7-1-15(2-8-18)22-14-31-24(29-22)27-20-11-5-16(6-12-20)21-13-30-23(28-21)17-3-9-19(26)10-4-17/h1-14H,(H,27,29)
InChIKey
FPJRKHFGUOPTMC-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-[4-[2-(4-chlorophenyl)-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

522.95795 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.96523 197.1
[M+Na]+ 545.94717 213.5
[M-H]- 521.95067 214.3
[M+NH4]+ 540.99177 210.8
[M+K]+ 561.92111 197.7
[M+H-H2O]+ 505.95521 197.3
[M+HCOO]- 567.95615 208.4
[M+CH3COO]- 581.97180 210.3
[M+Na-2H]- 543.93262 197.8
[M]+ 522.95740 221.5
[M]- 522.95850 221.5
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.