149990-83-0 (C32H27N2O5P)

Structural Information

Molecular Formula

SMILES

CC1=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/C32H27N2O5P/c1-23-17-19-24(20-18-23)28(35)21-29(36)31(38)33-34-32(39)30(37)22-40(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22,35H,1H3,(H,33,38)(H,34,39)/b28-21-

InChIKey

FTKLXUMOVXINOL-HFTWOUSFSA-N

Compound name

(Z)-4-hydroxy-4-(4-methylphenyl)-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-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]+	551.173076	230.6
[M+Na]+	573.155018	228.7
[M-H]-	549.158524	238.6
[M+NH4]+	568.199623	231.5
[M+K]+	589.128958	224.3
[M+H-H2O]+	533.163060	216.4
[M+HCOO]-	595.164001	251.5
[M+CH3COO]-	609.179651	250.5
[M+Na-2H]-	571.140466	226.2
[M]+	550.16525142	226.5
[M]-	550.16634858	226.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.173076

230.6

[M+Na]+

573.155018

228.7

[M-H]-

549.158524

238.6

[M+NH4]+

568.199623

231.5

[M+K]+

589.128958

224.3

[M+H-H2O]+

533.163060

216.4

[M+HCOO]-

595.164001

251.5

[M+CH3COO]-

609.179651

250.5

[M+Na-2H]-

571.140466

226.2

[M]+

550.16525142

226.5

[M]-

550.16634858

226.5

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

149990-83-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe