CID 3077078

133381-55-2

Structural Information

Molecular Formula
C32H25FN4O
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6F
InChI
InChI=1S/C32H25FN4O/c1-21(38)37-31(24-14-5-8-16-27(24)33)19-30(36-37)25-15-7-9-17-28(25)34-20-26-23-13-6-10-18-29(23)35-32(26)22-11-3-2-4-12-22/h2-18,20,31,35H,19H2,1H3
InChIKey
NJPVEXLMFXDVOA-UHFFFAOYSA-N
Compound name
1-[3-(2-fluorophenyl)-5-[2-[(2-phenyl-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

500.20123 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.20851 226.0
[M+Na]+ 523.19045 242.8
[M+NH4]+ 518.23505 232.4
[M+K]+ 539.16439 235.6
[M-H]- 499.19395 234.5
[M+Na-2H]- 521.17590 237.0
[M]+ 500.20068 230.9
[M]- 500.20178 230.9
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.