CID 211886

23711-51-5

Structural Information

Molecular Formula
C24H20N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)N=CC2=C(N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C24H20N4O3/c1-17(29)26-19-14-12-18(13-15-19)25-16-22-23(30)27(20-8-4-2-5-9-20)28(24(22)31)21-10-6-3-7-11-21/h2-16,30H,1H3,(H,26,29)
InChIKey
HSFDHLRFZNXDPQ-UHFFFAOYSA-N
Compound name
N-[4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16081 198.6
[M+Na]+ 435.14275 205.9
[M-H]- 411.14625 209.8
[M+NH4]+ 430.18735 206.8
[M+K]+ 451.11669 199.3
[M+H-H2O]+ 395.15079 186.7
[M+HCOO]- 457.15173 222.2
[M+CH3COO]- 471.16738 208.1
[M+Na-2H]- 433.12820 200.0
[M]+ 412.15298 199.5
[M]- 412.15408 199.5
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.