CID 3077074

133381-51-8

Structural Information

Molecular Formula
C33H28N4O2
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6OC
InChI
InChI=1S/C33H28N4O2/c1-22(38)37-31(26-16-8-11-19-32(26)39-2)20-30(36-37)25-15-7-9-17-28(25)34-21-27-24-14-6-10-18-29(24)35-33(27)23-12-4-3-5-13-23/h3-19,21,31,35H,20H2,1-2H3
InChIKey
BUPAWZFXAIOTPC-UHFFFAOYSA-N
Compound name
1-[3-(2-methoxyphenyl)-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

512.22125 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.22853 229.0
[M+Na]+ 535.21047 246.3
[M+NH4]+ 530.25507 235.6
[M+K]+ 551.18441 239.4
[M-H]- 511.21397 238.8
[M+Na-2H]- 533.19592 240.5
[M]+ 512.22070 234.4
[M]- 512.22180 234.4
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.