CID 51060837

2,4-dihydroxy-n'-((1-phenyl-3-(4-propoxyphenyl)-1h-pyrazol-4-yl)methylene)benzohydrazide

Structural Information

Molecular Formula
C26H24N4O4
SMILES
CCCOC1=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/C26H24N4O4/c1-2-14-34-22-11-8-18(9-12-22)25-19(17-30(29-25)20-6-4-3-5-7-20)16-27-28-26(33)23-13-10-21(31)15-24(23)32/h3-13,15-17,31-32H,2,14H2,1H3,(H,28,33)/b27-16+
InChIKey
YNOIFDSUNUXISB-JVWAILMASA-N
Compound name
2,4-dihydroxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.17975 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18703 208.9
[M+Na]+ 479.16897 214.2
[M-H]- 455.17247 218.4
[M+NH4]+ 474.21357 214.5
[M+K]+ 495.14291 208.0
[M+H-H2O]+ 439.17701 196.7
[M+HCOO]- 501.17795 230.3
[M+CH3COO]- 515.19360 235.2
[M+Na-2H]- 477.15442 209.4
[M]+ 456.17920 210.7
[M]- 456.18030 210.7
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.