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 221.2
[M+Na]+ 521.19479 227.9
[M-H]- 497.19829 233.7
[M+NH4]+ 516.23939 226.4
[M+K]+ 537.16873 218.5
[M+H-H2O]+ 481.20283 208.5
[M+HCOO]- 543.20377 239.0
[M+CH3COO]- 557.21942 228.2
[M+Na-2H]- 519.18024 218.4
[M]+ 498.20502 220.6
[M]- 498.20612 220.6
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.