CID 16125710

Akos024436306

Structural Information

Molecular Formula
C23H18FN3OS2
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H18FN3OS2/c1-28-18-10-6-15(7-11-18)20-14-30-23(25-20)27-21(16-4-8-17(24)9-5-16)13-19(26-27)22-3-2-12-29-22/h2-12,14,21H,13H2,1H3
InChIKey
RZTWTNXOXGWEIM-UHFFFAOYSA-N
Compound name
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.08752 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.09480 198.2
[M+Na]+ 458.07674 211.7
[M-H]- 434.08024 212.0
[M+NH4]+ 453.12134 211.2
[M+K]+ 474.05068 204.3
[M+H-H2O]+ 418.08478 190.6
[M+HCOO]- 480.08572 212.7
[M+CH3COO]- 494.10137 209.5
[M+Na-2H]- 456.06219 191.4
[M]+ 435.08697 204.1
[M]- 435.08807 204.1
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.