CID 3051950

Brn 1184451

Structural Information

Molecular Formula
C26H21N3OS2
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=C(C=C5)OC
InChI
InChI=1S/C26H21N3OS2/c1-17-3-5-18(6-4-17)24-16-32-26(29-24)27-21-11-7-19(8-12-21)23-15-31-25(28-23)20-9-13-22(30-2)14-10-20/h3-16H,1-2H3,(H,27,29)
InChIKey
COCDVUDCJQUEIJ-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-methoxyphenyl)-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

455.1126 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11988 206.3
[M+Na]+ 478.10182 218.0
[M-H]- 454.10532 221.3
[M+NH4]+ 473.14642 217.1
[M+K]+ 494.07576 209.0
[M+H-H2O]+ 438.10986 197.8
[M+HCOO]- 500.11080 222.8
[M+CH3COO]- 514.12645 216.8
[M+Na-2H]- 476.08727 203.9
[M]+ 455.11205 212.3
[M]- 455.11315 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.