CID 3077083

133405-37-5

Structural Information

Molecular Formula
C30H27FN4O2S
SMILES
CC1C(=O)N(C(S1)C2=C(NC3=CC=CC=C32)C)C4=CC=CC=C4C5=NN(C(C5)C6=CC=CC=C6F)C(=O)C
InChI
InChI=1S/C30H27FN4O2S/c1-17-28(22-12-5-8-14-24(22)32-17)30-34(29(37)18(2)38-30)26-15-9-6-11-21(26)25-16-27(35(33-25)19(3)36)20-10-4-7-13-23(20)31/h4-15,18,27,30,32H,16H2,1-3H3
InChIKey
HJHVSNSLMUWJAR-UHFFFAOYSA-N
Compound name
3-[2-[2-acetyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.1839 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.19118 227.8
[M+Na]+ 549.17312 238.1
[M-H]- 525.17662 239.8
[M+NH4]+ 544.21772 235.1
[M+K]+ 565.14706 229.3
[M+H-H2O]+ 509.18116 218.6
[M+HCOO]- 571.18210 237.7
[M+CH3COO]- 585.19775 235.3
[M+Na-2H]- 547.15857 215.7
[M]+ 526.18335 230.2
[M]- 526.18445 230.2
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.