CID 51061005

881664-26-2

Structural Information

Molecular Formula
C24H20N4O3
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=C(C=C(C=C3)O)O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O3/c1-16-7-9-17(10-8-16)23-18(15-28(27-23)19-5-3-2-4-6-19)14-25-26-24(31)21-12-11-20(29)13-22(21)30/h2-15,29-30H,1H3,(H,26,31)/b25-14+
InChIKey
RDEVIFTTYZWBOM-AFUMVMLFSA-N
Compound name
2,4-dihydroxy-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.15353 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16081 198.3
[M+Na]+ 435.14275 204.9
[M-H]- 411.14625 208.2
[M+NH4]+ 430.18735 205.9
[M+K]+ 451.11669 198.2
[M+H-H2O]+ 395.15079 186.8
[M+HCOO]- 457.15173 220.3
[M+CH3COO]- 471.16738 207.2
[M+Na-2H]- 433.12820 199.6
[M]+ 412.15298 198.2
[M]- 412.15408 198.2
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.