PubChemLite - 149990-82-9 (C31H25N2O5P)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/O

InChI

InChI=1S/C31H25N2O5P/c34-27(23-13-5-1-6-14-23)21-28(35)30(37)32-33-31(38)29(36)22-39(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,34H,(H,32,37)(H,33,38)/b27-21-

InChIKey

KVPUBQZTBZKNGI-MEFGMAGPSA-N

Compound name

(Z)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]-4-phenylbut-3-enehydrazide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	537.15738	225.9
[M+Na]+	559.13932	223.6
[M-H]-	535.14282	233.6
[M+NH4]+	554.18392	227.1
[M+K]+	575.11326	219.2
[M+H-H2O]+	519.14736	211.8
[M+HCOO]-	581.14830	247.1
[M+CH3COO]-	595.16395	246.4
[M+Na-2H]-	557.12477	222.7
[M]+	536.14955	221.0
[M]-	536.15065	221.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.15738

225.9

[M+Na]+

559.13932

223.6

[M-H]-

535.14282

233.6

[M+NH4]+

554.18392

227.1

[M+K]+

575.11326

219.2

[M+H-H2O]+

519.14736

211.8

[M+HCOO]-

581.14830

247.1

[M+CH3COO]-

595.16395

246.4

[M+Na-2H]-

557.12477

222.7

[M]+

536.14955

221.0

[M]-

536.15065

221.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

149990-82-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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