PubChemLite - Jnj-10311795 (C40H35N2O6P)

Structural Information

Molecular Formula

SMILES

CN(C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC5=CC=CC=C5C=C4C(=O)C(C6=CC=CC7=CC=CC=C76)P(=O)(O)O

InChI

InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)

InChIKey

XUJQPDQURBZEGJ-UHFFFAOYSA-N

Compound name

[2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

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]+	671.23055	253.5
[M+Na]+	693.21249	266.9
[M+NH4]+	688.25709	257.8
[M+K]+	709.18643	260.0
[M-H]-	669.21599	261.1
[M+Na-2H]-	691.19794	261.0
[M]+	670.22272	257.5
[M]-	670.22382	257.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

671.23055

253.5

[M+Na]+

693.21249

266.9

[M+NH4]+

688.25709

257.8

[M+K]+

709.18643

260.0

[M-H]-

669.21599

261.1

[M+Na-2H]-

691.19794

261.0

[M]+

670.22272

257.5

[M]-

670.22382

257.5

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

Jnj-10311795

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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