CID 3077079

133381-56-3

Structural Information

Molecular Formula
C33H27FN4O
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC=C4C5=NN(C(C5)C6=CC=CC=C6F)C(=O)C
InChI
InChI=1S/C33H27FN4O/c1-21-15-17-23(18-16-21)33-27(24-9-4-8-14-30(24)36-33)20-35-29-13-7-5-11-26(29)31-19-32(38(37-31)22(2)39)25-10-3-6-12-28(25)34/h3-18,20,32,36H,19H2,1-2H3
InChIKey
FQAQCDNEEZIXNV-UHFFFAOYSA-N
Compound name
1-[3-(2-fluorophenyl)-5-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]methylideneamino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2169 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.22418 231.1
[M+Na]+ 537.20612 248.1
[M+NH4]+ 532.25072 237.4
[M+K]+ 553.18006 240.8
[M-H]- 513.20962 239.7
[M+Na-2H]- 535.19157 241.6
[M]+ 514.21635 236.1
[M]- 514.21745 236.1
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.