PubChemLite - 229177-79-1 (C44H42N2P2)

Structural Information

Molecular Formula

SMILES

C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)NP(C5=CC=CC=C5)C6=CC=CC=C6)NP(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H42N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,19-26,29-32,45-46H,13-18,27-28H2

InChIKey

GTPWPBWUIWYZCB-UHFFFAOYSA-N

Compound name

N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

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]+	661.28963	269.7
[M+Na]+	683.27157	286.3
[M+NH4]+	678.31617	278.6
[M+K]+	699.24551	271.5
[M-H]-	659.27507	285.4
[M+Na-2H]-	681.25702	281.9
[M]+	660.28180	276.8
[M]-	660.28290	276.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

661.28963

269.7

[M+Na]+

683.27157

286.3

[M+NH4]+

678.31617

278.6

[M+K]+

699.24551

271.5

[M-H]-

659.27507

285.4

[M+Na-2H]-

681.25702

281.9

[M]+

660.28180

276.8

[M]-

660.28290

276.8

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

229177-79-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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