CID 3051948

Brn 1186239

Structural Information

Molecular Formula
C25H18ClN3OS2
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H18ClN3OS2/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
WBDNEBWSNXUBHX-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-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

475.05798 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.06526 209.7
[M+Na]+ 498.04720 222.4
[M-H]- 474.05070 224.8
[M+NH4]+ 493.09180 220.6
[M+K]+ 514.02114 212.8
[M+H-H2O]+ 458.05524 201.7
[M+HCOO]- 520.05618 222.0
[M+CH3COO]- 534.07183 220.1
[M+Na-2H]- 496.03265 207.3
[M]+ 475.05743 217.7
[M]- 475.05853 217.7
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.