CID 3077088

133405-42-2

Structural Information

Molecular Formula
C35H29FN4O2S
SMILES
CC1C(=O)N(C(S1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5C6=NN(C(C6)C7=CC=CC=C7F)C(=O)C
InChI
InChI=1S/C35H29FN4O2S/c1-21-34(42)39(35(43-21)32-26-16-7-10-18-28(26)37-33(32)23-12-4-3-5-13-23)30-19-11-8-15-25(30)29-20-31(40(38-29)22(2)41)24-14-6-9-17-27(24)36/h3-19,21,31,35,37H,20H2,1-2H3
InChIKey
MMECIWHXDCUFOU-UHFFFAOYSA-N
Compound name
3-[2-[2-acetyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-methyl-2-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.1995 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.20678 240.7
[M+Na]+ 611.18872 249.7
[M-H]- 587.19222 255.2
[M+NH4]+ 606.23332 244.7
[M+K]+ 627.16266 240.1
[M+H-H2O]+ 571.19676 230.2
[M+HCOO]- 633.19770 250.0
[M+CH3COO]- 647.21335 246.9
[M+Na-2H]- 609.17417 228.4
[M]+ 588.19895 241.9
[M]- 588.20005 241.9
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.