CID 3077077

133381-54-1

Structural Information

Molecular Formula
C32H26N4O2
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6O
InChI
InChI=1S/C32H26N4O2/c1-21(37)36-30(25-15-7-10-18-31(25)38)19-29(35-36)24-14-6-8-16-27(24)33-20-26-23-13-5-9-17-28(23)34-32(26)22-11-3-2-4-12-22/h2-18,20,30,34,38H,19H2,1H3
InChIKey
KBJJGCBZLPJDIZ-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxyphenyl)-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

498.20557 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.21285 225.1
[M+Na]+ 521.19479 242.1
[M+NH4]+ 516.23939 231.5
[M+K]+ 537.16873 235.7
[M-H]- 497.19829 234.5
[M+Na-2H]- 519.18024 236.2
[M]+ 498.20502 230.3
[M]- 498.20612 230.3
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.