CID 3073559

1h-pyrazole-3-carboxylic acid, 5-phenyl-, 2-(1,2-dioxo-3-(triphenylphosphoranylidene)propyl)hydrazide

Structural Information

Molecular Formula
C31H25N4O3P
SMILES
C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=O)C(=O)C=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H25N4O3P/c36-29(31(38)35-34-30(37)28-21-27(32-33-28)23-13-5-1-6-14-23)22-39(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H,32,33)(H,34,37)(H,35,38)
InChIKey
UQIASEDWZNZTTN-UHFFFAOYSA-N
Compound name
N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.16644 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.17372 226.4
[M+Na]+ 555.15566 238.4
[M+NH4]+ 550.20026 230.3
[M+K]+ 571.12960 233.2
[M-H]- 531.15916 233.9
[M+Na-2H]- 553.14111 238.0
[M]+ 532.16589 229.9
[M]- 532.16699 229.9
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.