PubChemLite - 43133-31-9 (C54H52N2P4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(CN(CCN(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)CP(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C54H52N2P4/c1-9-25-47(26-10-1)57(48-27-11-2-12-28-48)43-55(44-58(49-29-13-3-14-30-49)50-31-15-4-16-32-50)41-42-56(45-59(51-33-17-5-18-34-51)52-35-19-6-20-36-52)46-60(53-37-21-7-22-38-53)54-39-23-8-24-40-54/h1-40H,41-46H2

InChIKey

UHNRUOIOXLTXKJ-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetrakis(diphenylphosphanylmethyl)ethane-1,2-diamine

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]+	853.31538	283.4
[M+Na]+	875.29732	269.7
[M-H]-	851.30082	293.5
[M+NH4]+	870.34192	271.2
[M+K]+	891.27126	264.9
[M+H-H2O]+	835.30536	255.2
[M+HCOO]-	897.30630	309.5
[M+CH3COO]-	911.32195	304.9
[M+Na-2H]-	873.28277	264.6
[M]+	852.30755	272.1
[M]-	852.30865	272.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

853.31538

283.4

[M+Na]+

875.29732

269.7

[M-H]-

851.30082

293.5

[M+NH4]+

870.34192

271.2

[M+K]+

891.27126

264.9

[M+H-H2O]+

835.30536

255.2

[M+HCOO]-

897.30630

309.5

[M+CH3COO]-

911.32195

304.9

[M+Na-2H]-

873.28277

264.6

[M]+

852.30755

272.1

[M]-

852.30865

272.1

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

43133-31-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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