CID 389693

Nsc686237

Structural Information

Molecular Formula
C30H26N4O2
SMILES
C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H26N4O2/c35-29(31-24-15-7-2-8-16-24)22-30(36)34-27(23-13-5-1-6-14-23)21-28(32-34)33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,31,35)
InChIKey
LATBMLLCWMFQGJ-UHFFFAOYSA-N
Compound name
3-oxo-N-phenyl-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.20557 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.21285 213.5
[M+Na]+ 497.19479 215.1
[M-H]- 473.19829 226.6
[M+NH4]+ 492.23939 217.9
[M+K]+ 513.16873 208.8
[M+H-H2O]+ 457.20283 199.5
[M+HCOO]- 519.20377 233.5
[M+CH3COO]- 533.21942 220.0
[M+Na-2H]- 495.18024 213.7
[M]+ 474.20502 210.6
[M]- 474.20612 210.6
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.