CID 3051946

Brn 1180659

Structural Information

Molecular Formula
C25H18ClN3S2
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H18ClN3S2/c1-16-2-4-17(5-3-16)23-15-31-25(29-23)27-21-12-8-18(9-13-21)22-14-30-24(28-22)19-6-10-20(26)11-7-19/h2-15H,1H3,(H,27,29)
InChIKey
SBIAEPUPRAKEAO-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.06308 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.07036 206.7
[M+Na]+ 482.05230 219.9
[M-H]- 458.05580 221.7
[M+NH4]+ 477.09690 218.4
[M+K]+ 498.02624 209.5
[M+H-H2O]+ 442.06034 198.7
[M+HCOO]- 504.06128 218.8
[M+CH3COO]- 518.07693 217.4
[M+Na-2H]- 480.03775 203.9
[M]+ 459.06253 213.5
[M]- 459.06363 213.5
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.