PubChemLite - 881843-47-6 (C28H27N5O4)

Structural Information

Molecular Formula

SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O4/c1-3-16-37-24-14-12-20(13-15-24)26-21(19-33(32-26)23-9-5-4-6-10-23)18-29-31-28(35)27(34)30-22-8-7-11-25(17-22)36-2/h4-15,17-19H,3,16H2,1-2H3,(H,30,34)(H,31,35)/b29-18+

InChIKey

FIAOOHFFTQAPEZ-RDRPBHBLSA-N

Compound name

N-(3-methoxyphenyl)-N'-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide

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]+	498.21358	219.5
[M+Na]+	520.19552	222.8
[M-H]-	496.19902	230.9
[M+NH4]+	515.24012	223.9
[M+K]+	536.16946	218.0
[M+H-H2O]+	480.20356	206.0
[M+HCOO]-	542.20450	243.3
[M+CH3COO]-	556.22015	248.0
[M+Na-2H]-	518.18097	220.2
[M]+	497.20575	222.8
[M]-	497.20685	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.21358

219.5

[M+Na]+

520.19552

222.8

[M-H]-

496.19902

230.9

[M+NH4]+

515.24012

223.9

[M+K]+

536.16946

218.0

[M+H-H2O]+

480.20356

206.0

[M+HCOO]-

542.20450

243.3

[M+CH3COO]-

556.22015

248.0

[M+Na-2H]-

518.18097

220.2

[M]+

497.20575

222.8

[M]-

497.20685

222.8

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

881843-47-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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